3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethyl)-4-phenylsulfanyl-butanoic acid

Systemtic Name: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethyl)-4-phenylsulfanyl-butanoic acid Openeye Name: 2-benzyl-3-(tert-butoxycarbonylamino)-4-phenylsulfanyl-butanoic acid CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-(phenylmethyl)-4-(phenylthio)butanoic acid IUPAC Name: 2-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylsulfanylbutanoic acid Traditional Name: 2-benzyl-3-(tert-butoxycarbonylamino)-4-(phenylthio)butyric acid Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSC1=CC=CC=C1)C(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSC1=CC=CC=C1)C(CC2=CC=CC=C2)C(=O)O

InChI

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