(3S)-3-[[1-(1-methylindol-2-yl)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-[[1-(1-methylindol-2-yl)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[[1-methyl-2-(1-methylindol-2-yl)-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-[[1-(1-methyl-2-indolyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-[[1-(1-methylindol-2-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-4-keto-3-[[2-keto-1-methyl-2-(1-methylindol-2-yl)ethyl]amino]butyric acid Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=CC=CC=C2N1C)NC(CC(=O)O)C=O

Isomeric SMILES

CC(C(=O)C1=CC2=CC=CC=C2N1C)N[C@@H](CC(=O)O)C=O

InChI

InChI=1S/C16H18N2O4/c1-10(17-12(9-19)8-15(20)21)16(22)14-7-11-5-3-4-6-13(11)18(14)2/h3-7,9-10,12,17H,8H2,1-2H3,(H,20,21)/t10?,12-/m0/s1