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

Systemtic Name: 3-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-4-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-[(1-carboxy-3-methylsulfanyl-propyl)amino]-4-oxo-butanoic acid CAS Name: 3-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-[[1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-[(1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[[1-carboxy-3-(methylthio)propyl]amino]-4-keto-3-(tyrosylamino)butyric acid Formula: C18H25N3O7S MolecularWeight: 427.472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O7S/c1-29-7-6-13(18(27)28)20-17(26)14(9-15(23)24)21-16(25)12(19)8-10-2-4-11(22)5-3-10/h2-5,12-14,22H,6-9,19H2,1H3,(H,20,26)(H,21,25)(H,23,24)(H,27,28)