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

Systemtic Name: methyl 2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-benzylsulfanyl-propanoate CAS Name: 2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-benzylsulfanylpropanoate Traditional Name: 3-(benzylthio)-2-(tyrosylamino)propionic acid methyl ester Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSCC1=CC=CC=C1)NC(=O)C(CC2=CC=C(C=C2)O)N

Isomeric SMILES

COC(=O)C(CSCC1=CC=CC=C1)NC(=O)C(CC2=CC=C(C=C2)O)N

InChI

InChI=1S/C20H24N2O4S/c1-26-20(25)18(13-27-12-15-5-3-2-4-6-15)22-19(24)17(21)11-14-7-9-16(23)10-8-14/h2-10,17-18,23H,11-13,21H2,1H3,(H,22,24)