2-[[2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]pentanedioic acid

Systemtic Name: 2-[[2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]pentanedioic acid Openeye Name: 2-[[2-[(2-amino-5-hydroxy-5-oxo-pentanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]pentanedioic acid CAS Name: 2-[[2-[(2-amino-5-hydroxy-1,5-dioxopentyl)amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]pentanedioic acid IUPAC Name: 2-[[2-[(2-amino-5-hydroxy-5-oxopentanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]pentanedioic acid Traditional Name: 2-[[2-[(2-amino-5-hydroxy-5-keto-pentanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]glutaric acid Formula: C21H26N4O8 MolecularWeight: 462.45314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(CCC(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(CCC(=O)O)N

InChI

InChI=1S/C21H26N4O8/c22-13(5-7-17(26)27)19(30)25-16(9-11-10-23-14-4-2-1-3-12(11)14)20(31)24-15(21(32)33)6-8-18(28)29/h1-4,10,13,15-16,23H,5-9,22H2,(H,24,31)(H,25,30)(H,26,27)(H,28,29)(H,32,33)