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

Systemtic Name: 2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[(2-amino-4-methylsulfanyl-butanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[2-amino-4-(methylthio)-1-oxobutyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[(2-amino-4-methylsulfanylbutanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[[2-amino-4-(methylthio)butanoyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O4S/c1-21-7-6-11(15)13(18)16-12(14(19)20)8-9-2-4-10(17)5-3-9/h2-5,11-12,17H,6-8,15H2,1H3,(H,16,18)(H,19,20)