[(2S)-1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate

Systemtic Name: [(2S)-1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(p-tolylmethylamino)ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid [(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propionic acid [(1S)-2-keto-1-methyl-2-[(4-methylbenzyl)amino]ethyl] ester Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(C)OC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)[C@H](C)OC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)C

InChI

InChI=1S/C24H27N3O4/c1-15-8-10-18(11-9-15)13-26-23(29)16(2)31-24(30)22(27-17(3)28)12-19-14-25-21-7-5-4-6-20(19)21/h4-11,14,16,22,25H,12-13H2,1-3H3,(H,26,29)(H,27,28)/t16-,22-/m0/s1