tert-butyl (2S,3R)-2-[(2-methylphenyl)sulfanylmethyl]-3-[[(S)-(4-methylphenyl)sulfinyl]amino]-3-phenyl-propanoate

Systemtic Name: tert-butyl (2S,3R)-2-[(2-methylphenyl)sulfanylmethyl]-3-[[(S)-(4-methylphenyl)sulfinyl]amino]-3-phenyl-propanoate Openeye Name: tert-butyl (2S,3R)-2-(o-tolylsulfanylmethyl)-3-phenyl-3-[[(S)-p-tolylsulfinyl]amino]propanoate CAS Name: (2S,3R)-3-[[(S)-(4-methylphenyl)sulfinyl]amino]-2-[[(2-methylphenyl)thio]methyl]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3R)-2-[(2-methylphenyl)sulfanylmethyl]-3-[[(S)-(4-methylphenyl)sulfinyl]amino]-3-phenylpropanoate Traditional Name: (2S,3R)-2-[(o-tolylthio)methyl]-3-phenyl-3-[[(S)-p-tolylsulfinyl]amino]propionic acid tert-butyl ester Formula: C28H33NO3S2 MolecularWeight: 495.69652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)NC(C2=CC=CC=C2)C(CSC3=CC=CC=C3C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)[S@](=O)N[C@@H](C2=CC=CC=C2)[C@H](CSC3=CC=CC=C3C)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H33NO3S2/c1-20-15-17-23(18-16-20)34(31)29-26(22-12-7-6-8-13-22)24(27(30)32-28(3,4)5)19-33-25-14-10-9-11-21(25)2/h6-18,24,26,29H,19H2,1-5H3/t24-,26-,34-/m0/s1