propan-2-yl (3S)-3-(4-methoxyphenyl)-3-[[4-(methylsulfanylmethyl)phenyl]carbonylamino]propanoate

Systemtic Name: propan-2-yl (3S)-3-(4-methoxyphenyl)-3-[[4-(methylsulfanylmethyl)phenyl]carbonylamino]propanoate Openeye Name: isopropyl (3S)-3-(4-methoxyphenyl)-3-[[4-(methylsulfanylmethyl)benzoyl]amino]propanoate CAS Name: (3S)-3-(4-methoxyphenyl)-3-[[[4-[(methylthio)methyl]phenyl]-oxomethyl]amino]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (3S)-3-(4-methoxyphenyl)-3-[[4-(methylsulfanylmethyl)benzoyl]amino]propanoate Traditional Name: (3S)-3-(4-methoxyphenyl)-3-[[4-[(methylthio)methyl]benzoyl]amino]propionic acid isopropyl ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)CSC

Isomeric SMILES

CC(C)OC(=O)C[C@@H](C1=CC=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)CSC

InChI

InChI=1S/C22H27NO4S/c1-15(2)27-21(24)13-20(17-9-11-19(26-3)12-10-17)23-22(25)18-7-5-16(6-8-18)14-28-4/h5-12,15,20H,13-14H2,1-4H3,(H,23,25)/t20-/m0/s1