2-[[3-[[1-(5-azanyl-2-oxidanyl-phenyl)-2-oxidanyl-2-oxidanylidene-ethyl]amino]-3-methyl-4-oxidanyl-4-oxidanylidene-butyl]amino]butanedioic acid

Systemtic Name: 2-[[3-[[1-(5-azanyl-2-oxidanyl-phenyl)-2-oxidanyl-2-oxidanylidene-ethyl]amino]-3-methyl-4-oxidanyl-4-oxidanylidene-butyl]amino]butanedioic acid Openeye Name: 2-[[3-[[1-(5-amino-2-hydroxy-phenyl)-2-hydroxy-2-oxo-ethyl]amino]-4-hydroxy-3-methyl-4-oxo-butyl]amino]butanedioic acid CAS Name: 2-[[3-[[1-(5-amino-2-hydroxyphenyl)-2-hydroxy-2-oxoethyl]amino]-4-hydroxy-3-methyl-4-oxobutyl]amino]butanedioic acid IUPAC Name: 2-[[3-[[1-(5-amino-2-hydroxyphenyl)-2-hydroxy-2-oxoethyl]amino]-4-hydroxy-3-methyl-4-oxobutyl]amino]butanedioic acid Traditional Name: 2-[[3-[[1-(5-amino-2-hydroxy-phenyl)-2-hydroxy-2-keto-ethyl]amino]-4-hydroxy-4-keto-3-methyl-butyl]amino]succinic acid Formula: C17H23N3O9 MolecularWeight: 413.37922

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC(CC(=O)O)C(=O)O)(C(=O)O)NC(C1=C(C=CC(=C1)N)O)C(=O)O

Isomeric SMILES

CC(CCNC(CC(=O)O)C(=O)O)(C(=O)O)NC(C1=C(C=CC(=C1)N)O)C(=O)O

InChI

InChI=1S/C17H23N3O9/c1-17(16(28)29,4-5-19-10(14(24)25)7-12(22)23)20-13(15(26)27)9-6-8(18)2-3-11(9)21/h2-3,6,10,13,19-21H,4-5,7,18H2,1H3,(H,22,23)(H,24,25)(H,26,27)(H,28,29)