(phenylmethyl) 2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: (phenylmethyl) 2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: benzyl 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-(methylthio)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-(tyrosylamino)butyric acid benzyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=CC=CC=C1)NC(=O)C(CC2=CC=C(C=C2)O)N

Isomeric SMILES

CSCCC(C(=O)OCC1=CC=CC=C1)NC(=O)C(CC2=CC=C(C=C2)O)N

InChI

InChI=1S/C21H26N2O4S/c1-28-12-11-19(21(26)27-14-16-5-3-2-4-6-16)23-20(25)18(22)13-15-7-9-17(24)10-8-15/h2-10,18-19,24H,11-14,22H2,1H3,(H,23,25)