ethyl (2R)-2-[[2-azanyl-3-[(4-chlorophenyl)methylsulfanyl]propanoyl]amino]-2-phenyl-ethanoate

Systemtic Name: ethyl (2R)-2-[[2-azanyl-3-[(4-chlorophenyl)methylsulfanyl]propanoyl]amino]-2-phenyl-ethanoate Openeye Name: ethyl (2R)-2-[[2-amino-3-[(4-chlorophenyl)methylsulfanyl]propanoyl]amino]-2-phenyl-acetate CAS Name: (2R)-2-[[2-amino-3-[(4-chlorophenyl)methylthio]-1-oxopropyl]amino]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[2-amino-3-[(4-chlorophenyl)methylsulfanyl]propanoyl]amino]-2-phenylacetate Traditional Name: (2R)-2-[[2-amino-3-[(4-chlorobenzyl)thio]propanoyl]amino]-2-phenyl-acetic acid ethyl ester Formula: C20H23ClN2O3S MolecularWeight: 406.92622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)NC(=O)C(CSCC2=CC=C(C=C2)Cl)N

Isomeric SMILES

CCOC(=O)[C@@H](C1=CC=CC=C1)NC(=O)C(CSCC2=CC=C(C=C2)Cl)N

InChI

InChI=1S/C20H23ClN2O3S/c1-2-26-20(25)18(15-6-4-3-5-7-15)23-19(24)17(22)13-27-12-14-8-10-16(21)11-9-14/h3-11,17-18H,2,12-13,22H2,1H3,(H,23,24)/t17?,18-/m1/s1