methyl 2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanyl-propanoate

Systemtic Name: methyl 2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanyl-propanoate Openeye Name: methyl 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanyl-propanoate CAS Name: 2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-mercaptopropanoic acid methyl ester IUPAC Name: methyl 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanylpropanoate Traditional Name: 3-mercapto-2-(tyrosylamino)propionic acid methyl ester Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CS)NC(=O)C(CC1=CC=C(C=C1)O)N

Isomeric SMILES

COC(=O)C(CS)NC(=O)C(CC1=CC=C(C=C1)O)N

InChI

InChI=1S/C13H18N2O4S/c1-19-13(18)11(7-20)15-12(17)10(14)6-8-2-4-9(16)5-3-8/h2-5,10-11,16,20H,6-7,14H2,1H3,(H,15,17)