methyl (2S)-2-(3-indol-1-ylpropanoylamino)-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-(3-indol-1-ylpropanoylamino)-3-phenyl-propanoate Openeye Name: methyl (2S)-2-(3-indol-1-ylpropanoylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[3-(1-indolyl)-1-oxopropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-(3-indol-1-ylpropanoylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(3-indol-1-ylpropanoylamino)-3-phenyl-propionic acid methyl ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CCN2C=CC3=CC=CC=C32

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CCN2C=CC3=CC=CC=C32

InChI

InChI=1S/C21H22N2O3/c1-26-21(25)18(15-16-7-3-2-4-8-16)22-20(24)12-14-23-13-11-17-9-5-6-10-19(17)23/h2-11,13,18H,12,14-15H2,1H3,(H,22,24)/t18-/m0/s1