2-azanyl-4-[3-[[1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanyl-phenyl]-3-oxidanyl-butanoic acid

Systemtic Name: 2-azanyl-4-[3-[[1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanyl-phenyl]-3-oxidanyl-butanoic acid Openeye Name: 2-amino-3-hydroxy-4-[4-hydroxy-3-[[2-hydroxy-1-(hydroxymethyl)-2-oxo-ethyl]amino]phenyl]butanoic acid CAS Name: 2-amino-4-[3-[(1,3-dihydroxy-1-oxopropan-2-yl)amino]-4-hydroxyphenyl]-3-hydroxybutanoic acid IUPAC Name: 2-amino-4-[3-[(1,3-dihydroxy-1-oxopropan-2-yl)amino]-4-hydroxyphenyl]-3-hydroxybutanoic acid Traditional Name: 2-amino-3-hydroxy-4-[4-hydroxy-3-[(2-hydroxy-2-keto-1-methylol-ethyl)amino]phenyl]butyric acid Formula: C13H18N2O7 MolecularWeight: 314.29122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(C(C(=O)O)N)O)NC(CO)C(=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1CC(C(C(=O)O)N)O)NC(CO)C(=O)O)O

InChI

InChI=1S/C13H18N2O7/c14-11(13(21)22)10(18)4-6-1-2-9(17)7(3-6)15-8(5-16)12(19)20/h1-3,8,10-11,15-18H,4-5,14H2,(H,19,20)(H,21,22)