(phenylmethyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylsulfanyl-butanoate

Systemtic Name: (phenylmethyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylsulfanyl-butanoate Openeye Name: benzyl 2-(tert-butoxycarbonylamino)-4-phenylsulfanyl-butanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(phenylthio)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylsulfanylbutanoate Traditional Name: 2-(tert-butoxycarbonylamino)-4-(phenylthio)butyric acid benzyl ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCSC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCSC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H27NO4S/c1-22(2,3)27-21(25)23-19(14-15-28-18-12-8-5-9-13-18)20(24)26-16-17-10-6-4-7-11-17/h4-13,19H,14-16H2,1-3H3,(H,23,25)