Basic information
- Standard SMILES
CCOP(=O)(OCC)C(CCc1ccccc1)C(=O)NC(CC(=O)OCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1- InChIKey
AQNQWARRZQFNEH-UHFFFAOYSA-N- Molecular formula
- C43H48N3O9P
- Average molar mass
- 781.8 g/mol
Names & identifiers
- Preferred name
- N-[1-benzyloxycarbonyl-2-(1H-indol-3-yl)-ethyl]-3-[2-(diethoxy-phosphoryl)4-phenyl-butyrylamino]-succinamic acid benzyl ester
- IUPAC
- benzyl 3-[(2-diethoxyphosphoryl-4-phenylbutanoyl)amino]-4-[[3-(1H-indol-3-yl)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-oxobutanoate
Names & synonyms
SCHEMBL4837383AQNQWARRZQFNEH-UHFFFAOYSA-Nn-[1'-benzyloxycarbonyl-2-(1h-indol-3-yl)-ethyl]-3-[2-(diethoxy-phosphoryl)-4-phenyl-butyrylamino]-succinamic acid benzyl estern-[1-benzyloxycarbonyl-2-(1h-indol-3-yl)-ethyl]-3-[2-(diethoxy-phosphoryl)-4-phenyl-butyrylamino]-succinamic acid benzyl esterN-[1-benzyloxycarbonyl-2-(1H-indol-3-yl)-ethyl]-3-[2-(diethoxy-phosphoryl)4-phenyl-butyrylamino]-succinamic acid benzyl ester
Database identifiers
- PubChem CID
- 87735201
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 23
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,270
Related reactions
4 records
Compound notes
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