cyanomethyl (2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: cyanomethyl (2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: cyanomethyl (2S)-2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid cyanomethyl ester IUPAC Name: cyanomethyl (2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propionic acid cyanomethyl ester Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OCC#N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)OCC#N

InChI

InChI=1S/C21H19N3O4/c22-10-11-27-20(25)19(12-16-13-23-18-9-5-4-8-17(16)18)24-21(26)28-14-15-6-2-1-3-7-15/h1-9,13,19,23H,11-12,14H2,(H,24,26)/t19-/m0/s1