4-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxidanylidene-5-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]pentanoic acid

Systemtic Name: 4-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxidanylidene-5-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]pentanoic acid Openeye Name: 4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]amino]-5-oxo-pentanoic acid CAS Name: 4-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-5-[(1-hydroxy-3-mercapto-1-oxopropan-2-yl)amino]-5-oxopentanoic acid IUPAC Name: 4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-[(1-hydroxy-1-oxo-3-sulfanylpropan-2-yl)amino]-5-oxopentanoic acid Traditional Name: 5-[[2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]amino]-5-keto-4-(tyrosylamino)valeric acid Formula: C17H23N3O7S MolecularWeight: 413.44542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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