2-[[2-[[2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]-3-methyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]butanedioic acid

Systemtic Name: 2-[[2-[[2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]-3-methyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]butanedioic acid Openeye Name: 2-[[2-[[2-[(2-amino-4-hydroxy-4-oxo-butanoyl)amino]-3-methyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]butanedioic acid CAS Name: 2-[[2-[[2-[(2-amino-4-hydroxy-1,4-dioxobutyl)amino]-3-methyl-1-oxobutyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]butanedioic acid IUPAC Name: 2-[[2-[[2-[(2-amino-4-hydroxy-4-oxobutanoyl)amino]-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]butanedioic acid Traditional Name: 2-[[2-[[2-[(2-amino-4-hydroxy-4-keto-butanoyl)amino]-3-methyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]succinic acid Formula: C24H31N5O9 MolecularWeight: 533.53104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C(CC(=O)O)N

Isomeric SMILES

CC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C(CC(=O)O)N

InChI

InChI=1S/C24H31N5O9/c1-11(2)20(29-21(34)14(25)8-18(30)31)23(36)27-16(22(35)28-17(24(37)38)9-19(32)33)7-12-10-26-15-6-4-3-5-13(12)15/h3-6,10-11,14,16-17,20,26H,7-9,25H2,1-2H3,(H,27,36)(H,28,35)(H,29,34)(H,30,31)(H,32,33)(H,37,38)