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

Systemtic Name: 2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]pentanedioic acid Openeye Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]pentanedioic acid CAS Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-(methylthio)-1-oxobutyl]amino]pentanedioic acid IUPAC Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]pentanedioic acid Traditional Name: 2-[[4-(methylthio)-2-(tyrosylamino)butanoyl]amino]glutaric acid Formula: C19H27N3O7S MolecularWeight: 441.49858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O7S/c1-30-9-8-14(18(27)22-15(19(28)29)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)