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

Systemtic Name: [(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Openeye Name: [(1S)-2-(4-ethylanilino)-1-methyl-2-oxo-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-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylanilino)-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-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)C

InChI

InChI=1S/C24H27N3O4/c1-4-17-9-11-19(12-10-17)27-23(29)15(2)31-24(30)22(26-16(3)28)13-18-14-25-21-8-6-5-7-20(18)21/h5-12,14-15,22,25H,4,13H2,1-3H3,(H,26,28)(H,27,29)/t15-,22-/m0/s1