[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl] (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl] (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxo-ethyl] (2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoate CAS Name: (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid [2-[1-(2-cyanoethyl)-3-indolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxoethyl] (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-phenyl-propionic acid [2-[1-(2-cyanoethyl)indol-3-yl]-2-keto-ethyl] ester Formula: C30H27N3O5 MolecularWeight: 509.55248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC(=O)C2=CN(C3=CC=CC=C32)CCC#N)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)OCC(=O)C2=CN(C3=CC=CC=C32)CCC#N)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C30H27N3O5/c31-16-9-17-33-19-25(24-14-7-8-15-27(24)33)28(34)21-37-29(35)26(18-22-10-3-1-4-11-22)32-30(36)38-20-23-12-5-2-6-13-23/h1-8,10-15,19,26H,9,17-18,20-21H2,(H,32,36)/t26-/m0/s1