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

Systemtic Name: 4-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-[(1-carboxy-3-methylsulfanyl-propyl)amino]-5-oxo-pentanoic acid CAS Name: 4-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-5-[[1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-[(1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl)amino]-5-oxopentanoic acid Traditional Name: 5-[[1-carboxy-3-(methylthio)propyl]amino]-5-keto-4-(tyrosylamino)valeric acid Formula: C19H27N3O7S MolecularWeight: 441.49858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O7S/c1-30-9-8-15(19(28)29)22-18(27)14(6-7-16(24)25)21-17(26)13(20)10-11-2-4-12(23)5-3-11/h2-5,13-15,23H,6-10,20H2,1H3,(H,21,26)(H,22,27)(H,24,25)(H,28,29)