2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-butanoyl]amino]pentanedioic acid

Systemtic Name: 2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-butanoyl]amino]pentanedioic acid Openeye Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-butanoyl]amino]pentanedioic acid CAS Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-hydroxy-1-oxobutyl]amino]pentanedioic acid IUPAC Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]pentanedioic acid Traditional Name: 2-[[3-hydroxy-2-(tyrosylamino)butanoyl]amino]glutaric acid Formula: C18H25N3O8 MolecularWeight: 411.4064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)N)O

Isomeric SMILES

CC(C(C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)N)O

InChI

InChI=1S/C18H25N3O8/c1-9(22)15(17(27)20-13(18(28)29)6-7-14(24)25)21-16(26)12(19)8-10-2-4-11(23)5-3-10/h2-5,9,12-13,15,22-23H,6-8,19H2,1H3,(H,20,27)(H,21,26)(H,24,25)(H,28,29)