Basic information
- Standard SMILES
COc1ccc(CC2(C(=O)N[C@@H](Cc3ccc(N4C(=O)C5CCNCC5C4=O)cc3)C(=O)O)CCCC2)cc1- InChIKey
RAIUBHWAFHYDSI-STEQJIOHSA-N- Molecular formula
- C30H35N3O6
- Average molar mass
- 533.6 g/mol
- Monoisotopic mass
- 533.25258584
Names & identifiers
- Preferred name
- N-[[1-[(4-methoxyphenyl)methyl]cyclopentyl]carbonyl]-4-[(3aRS, 7aRS)-(octahydro-1,3-dioxo-1H-pyrrolo[3,4-c]pyridin-2-yl)]-L-phenylalanine
- IUPAC
- (2S)-3-[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-2-yl)phenyl]-2-[[1-[(4-methoxyphenyl)methyl]cyclopentanecarbonyl]amino]propanoic acid
Names & synonyms
SCHEMBL6628658RAIUBHWAFHYDSI-STEQJIOHSA-NN-[[1-[(4-methoxyphenyl)methyl]cyclopentyl]carbonyl]-4-[(3aRS, 7aRS)-(octahydro-1,3-dioxo-1H-pyrrolo[3,4-c]pyridin-2-yl)]-L-phenylalanineN-[[1-[(4-methoxyphenyl)methyl]cyclopentyl]carbonyl]-4-[(3aRS,7aRS)-(octahydro-1,3-dioxo-1H-pyrrolo[3,4-c]pyridin-2-yl)]-L-phenylalanine
Database identifiers
- PubChem CID
- 69844740
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 918
Related reactions
2 records
Compound notes
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