((R)-3-Methyl-1-((R)-3-phenyl-2-(pyrazine-2-carboxamido)propanamido)butyl)boronic acid
Also: (1R,2R)-Bortezomib, B-[(1R)-3-Methyl-1-[[(2R)-1-oxo-3-phenyl-2-[(2-pyrazinylcarbonyl)amino]propyl]amino]butyl]boronic acid, Boronic acid, B…
Open FDA's page for this record- Substance class
- chemical
- Definition type
- PRIMARY
- Definition level
- COMPLETE
- Uuid
- 3ffd21dc-0834-4fe8-a45c-ec5b5627280e
- Version
- 6
- UNII
- 3X6C643XUM
- Codes
- Uuid
- c1c9e38e-3ab3-4eb2-aaf6-73cb5fd8427a
- Code
- 1132709-15-9
- Type
- PRIMARY
- Url
- https://commonchemistry.cas.org/detail?cas_rn=1132709-15-9
- Code system
- CAS
- References
- d18afc10-36f8-467f-942d-9b486f9870f0
- Uuid
- b9ec9b54-cae9-2881-7a55-f8eaddbfb0a9
- Code
- 59476170
- Type
- PRIMARY
- Url
- https://pubchem.ncbi.nlm.nih.gov/compound/59476170
- Code system
- PUBCHEM
- References
- 20b7feb2-a85b-1060-9783-ccc1a1d1b1b4
- Uuid
- 397dfd44-294a-3dd9-9c92-9fc65d5229ed
- Code
- DTXSID10732163
- Type
- PRIMARY
- Url
- https://comptox.epa.gov/dashboard/chemical/details/DTXSID10732163
- Code system
- EPA CompTox
- References
- 339746ba-a461-b80f-e457-ba4caf642e16
- Uuid
- ae996982-5898-498e-9d0e-3337bc8ff368
- Code
- 3X6C643XUM
- Type
- PRIMARY
- Code system
- FDA UNII
- Names
- Uuid
- 5faec40a-8b39-4689-8990-abd1276699f3
- Name
- ((R)-3-Methyl-1-((R)-3-phenyl-2-(pyrazine-2-carboxamido)propanamido)butyl)boronic acid
- StdName
- ((R)-3-METHYL-1-((R)-3-PHENYL-2-(PYRAZINE-2-CARBOXAMIDO)PROPANAMIDO)BUTYL)BORONIC ACID
- Type
- sys
- Preferred
- false
- Display name
- false
- Languages
- en
- References
- d18afc10-36f8-467f-942d-9b486f9870f0
- Uuid
- eecb0d82-f91c-4e41-964b-d0d4cea727b7
- Name
- (1R,2R)-Bortezomib
- StdName
- (1R,2R)-BORTEZOMIB
- Type
- cn
- Preferred
- false
- Display name
- false
- Languages
- en
- References
- 20b7feb2-a85b-1060-9783-ccc1a1d1b1b4
- Uuid
- 637dad97-9b07-4da1-9913-dd53a09a3be1
- Name
- B-[(1R)-3-Methyl-1-[[(2R)-1-oxo-3-phenyl-2-[(2-pyrazinylcarbonyl)amino]propyl]amino]butyl]boronic acid
- StdName
- B-((1R)-3-METHYL-1-(((2R)-1-OXO-3-PHENYL-2-((2-PYRAZINYLCARBONYL)AMINO)PROPYL)AMINO)BUTYL)BORONIC ACID
- Type
- sys
- Preferred
- false
- Display name
- false
- Languages
- en
- References
- d18afc10-36f8-467f-942d-9b486f9870f0
- Uuid
- 93f4dd4b-1a86-4d1f-9389-b4535a883442
- Name
- Boronic acid, B-[(1R)-3-methyl-1-[[(2R)-1-oxo-3-phenyl-2-[(2-pyrazinylcarbonyl)amino]propyl]amino]butyl]-
- StdName
- BORONIC ACID, B-((1R)-3-METHYL-1-(((2R)-1-OXO-3-PHENYL-2-((2-PYRAZINYLCARBONYL)AMINO)PROPYL)AMINO)BUTYL)-
- Type
- sys
- Preferred
- false
- Display name
- false
- Languages
- en
- References
- d18afc10-36f8-467f-942d-9b486f9870f0
- Uuid
- 9a65a87d-08b1-49d4-a55f-0c737c09c396
- Name
- Bortezomib (1R, 2R)-Isomer
- StdName
- BORTEZOMIB (1R, 2R)-ISOMER
- Type
- cn
- Preferred
- false
- Display name
- false
- Languages
- en
- References
- d18afc10-36f8-467f-942d-9b486f9870f0
- Uuid
- 5ca2fa65-1b77-4306-ae34-d29e9bfd6eb1
- Name
- Bortezomib, (1R,2R)-
- StdName
- BORTEZOMIB, (1R,2R)-
- Type
- cn
- Preferred
- false
- Display name
- true
- Languages
- en
- References
- 20b7feb2-a85b-1060-9783-ccc1a1d1b1b4
- References
- Uuid
- 339746ba-a461-b80f-e457-ba4caf642e16
- Citation
- EPA CompTox
- Doc type
- EPA
- Public domain
- true
- Uuid
- 20b7feb2-a85b-1060-9783-ccc1a1d1b1b4
- Citation
- PUBCHEM
- Doc type
- PUBCHEM
- Public domain
- true
- Uuid
- d18afc10-36f8-467f-942d-9b486f9870f0
- Citation
- STN
- Doc type
- STN (SCIFINDER)
- Public domain
- true
- Tags
- PUBLIC_DOMAIN_RELEASE
- Moieties
- Uuid
- e5a16e27-1a79-492e-b183-8de427ccff1b
- ID
- e5a16e27-1a79-492e-b183-8de427ccff1b
- Smiles
- CC(C)C[C@@H](B(O)O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c2cnccn2
- Formula
- C19H25BN4O4
- Atropisomerism
- No
- Charge
- 0
- Count
- 1
- Stereochemistry
- ABSOLUTE
- Defined stereo
- 2
- Ez centers
- 0
- Molecular weight
- 384.238
- Optical activity
- UNSPECIFIED
- Stereo centers
- 2
- Molfile
CDK 02232319492D 28 29 0 0 1 0 0 0 0 0999 V2000 6.6684 4.6200 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6684 3.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3347 5.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0020 5.3900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3347 6.9300 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0009 4.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3358 4.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0009 7.7000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3356 3.0800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6673 6.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0009 9.2400 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 1.3336 7.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6673 10.0100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3347 10.0100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3336 9.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3347 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0009 3.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3347 0.7700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6673 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0009 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6673 0.7700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6694 5.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0031 4.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6694 6.9300 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3367 5.3900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0031 7.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3367 6.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 6 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 17 1 0 0 0 0 3 5 1 0 0 0 0 3 6 2 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 7 9 2 0 0 0 0 7 23 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 1 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 2 0 0 0 0 20 22 2 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 24 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 27 28 2 0 0 0 0 M END
- Count amount
- Type
- MOL RATIO
- Average
- 1
- Units
- MOL RATIO
- Uuid
- 2e16b6d6-5874-43c4-8cd8-c526617f0bdd
- Structure
- ID
- d95312e9-76ec-403e-8160-6da441007435
- Smiles
- CC(C)C[C@@H](B(O)O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c2cnccn2
- Formula
- C19H25BN4O4
- Atropisomerism
- No
- Charge
- 0
- Count
- 1
- Stereochemistry
- ABSOLUTE
- Defined stereo
- 2
- Ez centers
- 0
- Molecular weight
- 384.238
- Optical activity
- UNSPECIFIED
- Stereo centers
- 2
- Molfile
JSDraw205232420372D 28 29 0 0 1 0 0 V2000 30.7532 -8.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4024 -9.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4026 -10.8151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0513 -8.4754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7005 -9.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7008 -10.8157 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 28.0518 -11.5953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3499 -11.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3494 -8.4759 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.9986 -9.2561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9988 -10.8161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6475 -8.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6473 -6.9164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9981 -6.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3496 -6.9168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7005 -6.1366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6997 -4.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3482 -3.7951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9974 -4.5753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2967 -9.2565 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.9455 -8.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9453 -6.9168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5947 -9.2569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5947 -10.8169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2427 -11.5969 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8908 -10.8169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8908 -9.2569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2427 -8.4770 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 1 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 5 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 14 19 1 0 0 0 0 12 20 1 6 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 23 28 1 0 0 0 0 M END
- References
- d18afc10-36f8-467f-942d-9b486f9870f0