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Basic information
- Standard SMILES
O=C(CCCc1ccccc1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCC(=O)ON1C(=O)CCC1=O- InChIKey
OTUPEJUEFCWBPG-SANMLTNESA-N- Molecular formula
- C31H36N4O6
- Average molar mass
- 560.6 g/mol
Names & identifiers
- Preferred name
- (S)-6-[3-(1H-Indol-3-yl)-2-(4-phenyl-butyrylamino)-propionylamino]-hexanoic acid 2,5-dioxo-pyrrolidin-1-yl ester
- IUPAC
- (2,5-dioxopyrrolidin-1-yl) 6-[[(2S)-3-(1H-indol-3-yl)-2-(4-phenylbutanoylamino)propanoyl]amino]hexanoate
Names & synonyms
SCHEMBL1233311OTUPEJUEFCWBPG-SANMLTNESA-N(S)-6-[3-(1H-Indol-3-yl)-2-(4-phenyl-butyrylamino)-propionylamino]-hexanoic acid 2,5-dioxo-pyrrolidin-1-yl ester
Database identifiers
- PubChem CID
- 57796858
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 16
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 904
Related reactions
2 records
Compound notes
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