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

Systemtic Name: 2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]pentanedioic acid Openeye Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]pentanedioic acid CAS Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-mercapto-1-oxopropyl]amino]pentanedioic acid IUPAC Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanylpropanoyl]amino]pentanedioic acid Traditional Name: 2-[[3-mercapto-2-(tyrosylamino)propanoyl]amino]glutaric acid Formula: C17H23N3O7S MolecularWeight: 413.44542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O7S/c18-11(7-9-1-3-10(21)4-2-9)15(24)20-13(8-28)16(25)19-12(17(26)27)5-6-14(22)23/h1-4,11-13,21,28H,5-8,18H2,(H,19,25)(H,20,24)(H,22,23)(H,26,27)