3-[2-[[1-(carboxymethyl)indol-2-yl]carbonylamino]propanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[2-[[1-(carboxymethyl)indol-2-yl]carbonylamino]propanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[2-[[1-(carboxymethyl)indole-2-carbonyl]amino]propanoylamino]-4-oxo-butanoic acid CAS Name: 3-[[2-[[[1-(carboxymethyl)-2-indolyl]-oxomethyl]amino]-1-oxopropyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[2-[[1-(carboxymethyl)indole-2-carbonyl]amino]propanoylamino]-4-oxobutanoic acid Traditional Name: 3-[2-[[1-(carboxymethyl)indole-2-carbonyl]amino]propanoylamino]-4-keto-butyric acid Formula: C18H19N3O7 MolecularWeight: 389.35936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC(=O)O)C=O)NC(=O)C1=CC2=CC=CC=C2N1CC(=O)O

Isomeric SMILES

CC(C(=O)NC(CC(=O)O)C=O)NC(=O)C1=CC2=CC=CC=C2N1CC(=O)O

InChI

InChI=1S/C18H19N3O7/c1-10(17(27)20-12(9-22)7-15(23)24)19-18(28)14-6-11-4-2-3-5-13(11)21(14)8-16(25)26/h2-6,9-10,12H,7-8H2,1H3,(H,19,28)(H,20,27)(H,23,24)(H,25,26)