3-[[2-[(1-methylindol-2-yl)carbonylamino]-3-phenyl-propanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[2-[(1-methylindol-2-yl)carbonylamino]-3-phenyl-propanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[2-[(1-methylindole-2-carbonyl)amino]-3-phenyl-propanoyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[2-[[(1-methyl-2-indolyl)-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[2-[(1-methylindole-2-carbonyl)amino]-3-phenylpropanoyl]amino]-4-oxobutanoic acid Traditional Name: 4-keto-3-[[2-[(1-methylindole-2-carbonyl)amino]-3-phenyl-propanoyl]amino]butyric acid Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C=C1C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CC(=O)O)C=O

Isomeric SMILES

CN1C2=CC=CC=C2C=C1C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CC(=O)O)C=O

InChI

InChI=1S/C23H23N3O5/c1-26-19-10-6-5-9-16(19)12-20(26)23(31)25-18(11-15-7-3-2-4-8-15)22(30)24-17(14-27)13-21(28)29/h2-10,12,14,17-18H,11,13H2,1H3,(H,24,30)(H,25,31)(H,28,29)