N-[1-benzyloxycarbonyl-2-(1H-indol-3-yl)-ethyl]-3-[2-(diethoxy-phosphoryl)4-phenyl-butyrylamino]-succinamic acid benzyl ester

HCID 87735201

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

Related reactions

4 records

Compound notes

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