[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propionic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C24H27N3O4S MolecularWeight: 453.55388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCC(=O)NCCCSC3=CC=CC=C3

Isomeric SMILES

CC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)OCC(=O)NCCCSC3=CC=CC=C3

InChI

InChI=1S/C24H27N3O4S/c1-17(28)27-22(14-18-15-26-21-11-6-5-10-20(18)21)24(30)31-16-23(29)25-12-7-13-32-19-8-3-2-4-9-19/h2-6,8-11,15,22,26H,7,12-14,16H2,1H3,(H,25,29)(H,27,28)/t22-/m0/s1