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

Systemtic Name: 3-[2-[[1-(2-carboxyethyl)indol-2-yl]carbonylamino]propanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[2-[[1-(2-carboxyethyl)indole-2-carbonyl]amino]propanoylamino]-4-oxo-butanoic acid CAS Name: 3-[[2-[[[1-(2-carboxyethyl)-2-indolyl]-oxomethyl]amino]-1-oxopropyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[2-[[1-(2-carboxyethyl)indole-2-carbonyl]amino]propanoylamino]-4-oxobutanoic acid Traditional Name: 3-[2-[[1-(2-carboxyethyl)indole-2-carbonyl]amino]propanoylamino]-4-keto-butyric acid Formula: C19H21N3O7 MolecularWeight: 403.38594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC(=O)O)C=O)NC(=O)C1=CC2=CC=CC=C2N1CCC(=O)O

Isomeric SMILES

CC(C(=O)NC(CC(=O)O)C=O)NC(=O)C1=CC2=CC=CC=C2N1CCC(=O)O

InChI

InChI=1S/C19H21N3O7/c1-11(18(28)21-13(10-23)9-17(26)27)20-19(29)15-8-12-4-2-3-5-14(12)22(15)7-6-16(24)25/h2-5,8,10-11,13H,6-7,9H2,1H3,(H,20,29)(H,21,28)(H,24,25)(H,26,27)