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

Systemtic Name: ethyl 2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-benzylsulfanylpropanoate Traditional Name: 3-(benzylthio)-2-(tyrosylamino)propionic acid ethyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-2-27-21(26)19(14-28-13-16-6-4-3-5-7-16)23-20(25)18(22)12-15-8-10-17(24)11-9-15/h3-11,18-19,24H,2,12-14,22H2,1H3,(H,23,25)