methyl (2S)-3-(1H-indol-3-yl)-2-[[2-(2-methylpropanoylamino)phenyl]carbonylamino]propanoate

Systemtic Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[2-(2-methylpropanoylamino)phenyl]carbonylamino]propanoate Openeye Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[2-(2-methylpropanoylamino)benzoyl]amino]propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[[2-[(2-methyl-1-oxopropyl)amino]phenyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[2-(2-methylpropanoylamino)benzoyl]amino]propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[[2-(isobutyrylamino)benzoyl]amino]propionic acid methyl ester Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC=C1C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC=C1C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C23H25N3O4/c1-14(2)21(27)25-19-11-7-5-9-17(19)22(28)26-20(23(29)30-3)12-15-13-24-18-10-6-4-8-16(15)18/h4-11,13-14,20,24H,12H2,1-3H3,(H,25,27)(H,26,28)/t20-/m0/s1