S-[2-(propan-2-ylcarbamoyl)phenyl] (2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanethioate

Systemtic Name: S-[2-(propan-2-ylcarbamoyl)phenyl] (2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanethioate Openeye Name: S-[2-(isopropylcarbamoyl)phenyl] (2S)-2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanethioate CAS Name: (2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanethioic acid S-[2-[oxo-(propan-2-ylamino)methyl]phenyl] ester IUPAC Name: S-[2-(propan-2-ylcarbamoyl)phenyl] (2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanethioate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanethioic acid S-[2-(isopropylcarbamoyl)phenyl] ester Formula: C29H29N3O4S MolecularWeight: 515.62326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC=CC=C1SC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)NC(=O)C1=CC=CC=C1SC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H29N3O4S/c1-19(2)31-27(33)23-13-7-9-15-26(23)37-28(34)25(16-21-17-30-24-14-8-6-12-22(21)24)32-29(35)36-18-20-10-4-3-5-11-20/h3-15,17,19,25,30H,16,18H2,1-2H3,(H,31,33)(H,32,35)/t25-/m0/s1