Basic information
- Standard SMILES
CC[C@H](c1ccccc1)N1Cc2cc3c(cc2C[C@H]1C(=O)N[C@@H](Cc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)OC)N(C)C(=O)[C@H](c1ccc(O)cc1)O3- InChIKey
GCBCSGFKXLPAEP-UDQMMGIDSA-N- Molecular formula
- C45H42N4O6
- Average molar mass
- 734.8 g/mol
Names & identifiers
- Preferred name
- (S)-3-(4'-Cyano-biphenyl-4-yl)-2-{[(3S,7S)-3-(4-hydroxy-phenyl)-1-methyl-2-oxo-6-((R)-1-phenyl-propyl)-2,3,5,6,7,8-hexahydro-1H-4-oxa-1,6-diaza-anthracene-7-carbonyl]-amino}-propionic acid methyl ester
- IUPAC
- methyl (2S)-3-[4-(4-cyanophenyl)phenyl]-2-[[(3S,8S)-3-(4-hydroxyphenyl)-1-methyl-2-oxo-7-[(1R)-1-phenylpropyl]-8,9-dihydro-6H-pyrido[4,3-g][1,4]benzoxazine-8-carbonyl]amino]propanoate
Names & synonyms
SCHEMBL1151173GCBCSGFKXLPAEP-UDQMMGIDSA-N(S)-3-(4'-Cyano-biphenyl-4-yl)-2-{[(3S,7S)-3-(4-hydroxy-phenyl)-1-methyl-2-oxo-6-((R)-1-phenyl-propyl)-2,3,5,6,7,8-hexahydro-1H-4-oxa-1,6-diaza-anthracene-7-carbonyl]-amino}-propionic acid methyl ester
Database identifiers
- PubChem CID
- 59337476
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,350
Related reactions
6 records
Compound notes
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