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

Systemtic Name: 2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]pentanedioic acid Openeye Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]pentanedioic acid CAS Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]pentanedioic acid IUPAC Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]pentanedioic acid Traditional Name: 2-[[3-hydroxy-2-(tyrosylamino)propanoyl]amino]glutaric acid Formula: C17H23N3O8 MolecularWeight: 397.37982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O8/c18-11(7-9-1-3-10(22)4-2-9)15(25)20-13(8-21)16(26)19-12(17(27)28)5-6-14(23)24/h1-4,11-13,21-22H,5-8,18H2,(H,19,26)(H,20,25)(H,23,24)(H,27,28)