(2S)-2-[(4-ethanoylphenyl)carbamoylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: (2S)-2-[(4-ethanoylphenyl)carbamoylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: (2S)-2-[(4-acetylphenyl)carbamoylamino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[(4-acetylanilino)-oxomethyl]amino]-3-(1H-indol-3-yl)propanoate IUPAC Name: (2S)-2-[(4-acetylphenyl)carbamoylamino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[(4-acetylphenyl)carbamoylamino]-3-(1H-indol-3-yl)propionate Formula: C20H18N3O4- MolecularWeight: 364.37462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)[O-]

InChI

InChI=1S/C20H19N3O4/c1-12(24)13-6-8-15(9-7-13)22-20(27)23-18(19(25)26)10-14-11-21-17-5-3-2-4-16(14)17/h2-9,11,18,21H,10H2,1H3,(H,25,26)(H2,22,23,27)/p-1/t18-/m0/s1