2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-oxidanyl-butanoic acid Openeye Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-hydroxy-butanoic acid CAS Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-(methylthio)-1-oxobutyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoic acid Traditional Name: 3-hydroxy-2-[[4-(methylthio)-2-(tyrosylamino)butanoyl]amino]butyric acid Formula: C18H27N3O6S MolecularWeight: 413.48848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O6S/c1-10(22)15(18(26)27)21-17(25)14(7-8-28-2)20-16(24)13(19)9-11-3-5-12(23)6-4-11/h3-6,10,13-15,22-23H,7-9,19H2,1-2H3,(H,20,24)(H,21,25)(H,26,27)