3-azanyl-4-[2-(2-azanyl-3-oxidanyl-butanoyl)-6-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-3-oxidanyl-phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[2-(2-azanyl-3-oxidanyl-butanoyl)-6-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-3-oxidanyl-phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[2-(2-amino-3-hydroxy-butanoyl)-6-(2-amino-3-hydroxy-3-oxo-propyl)-3-hydroxy-phenyl]-4-oxo-butanoic acid CAS Name: 3-amino-4-[2-(2-amino-3-hydroxy-1-oxobutyl)-6-(2-amino-3-hydroxy-3-oxopropyl)-3-hydroxyphenyl]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[2-(2-amino-3-hydroxybutanoyl)-6-(2-amino-3-hydroxy-3-oxopropyl)-3-hydroxyphenyl]-4-oxobutanoic acid Traditional Name: 3-amino-4-[2-(2-amino-3-hydroxy-butanoyl)-6-(2-amino-3-hydroxy-3-keto-propyl)-3-hydroxy-phenyl]-4-keto-butyric acid Formula: C17H23N3O8 MolecularWeight: 397.37982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)C1=C(C=CC(=C1C(=O)C(CC(=O)O)N)CC(C(=O)O)N)O)N)O

Isomeric SMILES

CC(C(C(=O)C1=C(C=CC(=C1C(=O)C(CC(=O)O)N)CC(C(=O)O)N)O)N)O

InChI

InChI=1S/C17H23N3O8/c1-6(21)14(20)16(26)13-10(22)3-2-7(4-9(19)17(27)28)12(13)15(25)8(18)5-11(23)24/h2-3,6,8-9,14,21-22H,4-5,18-20H2,1H3,(H,23,24)(H,27,28)