1-[[3-[(2-carboxyindol-1-yl)amino]-3-oxidanylidene-propanoyl]amino]indole-2-carboxylic acid

Systemtic Name: 1-[[3-[(2-carboxyindol-1-yl)amino]-3-oxidanylidene-propanoyl]amino]indole-2-carboxylic acid Openeye Name: 1-[[3-[(2-carboxyindol-1-yl)amino]-3-oxo-propanoyl]amino]indole-2-carboxylic acid CAS Name: 1-[[3-[(2-carboxy-1-indolyl)amino]-1,3-dioxopropyl]amino]-2-indolecarboxylic acid IUPAC Name: 1-[[3-[(2-carboxyindol-1-yl)amino]-3-oxopropanoyl]amino]indole-2-carboxylic acid Traditional Name: 1-[[3-[(2-carboxyindol-1-yl)amino]-3-keto-propanoyl]amino]indole-2-carboxylic acid Formula: C21H16N4O6 MolecularWeight: 420.37494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N2NC(=O)CC(=O)NN3C4=CC=CC=C4C=C3C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N2NC(=O)CC(=O)NN3C4=CC=CC=C4C=C3C(=O)O)C(=O)O

InChI

InChI=1S/C21H16N4O6/c26-18(22-24-14-7-3-1-5-12(14)9-16(24)20(28)29)11-19(27)23-25-15-8-4-2-6-13(15)10-17(25)21(30)31/h1-10H,11H2,(H,22,26)(H,23,27)(H,28,29)(H,30,31)