(2S)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-piperidin-4-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-piperidin-4-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(1-tert-butoxycarbonyl-4-phenyl-piperidine-4-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-phenyl-4-piperidinyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(1-tert-butoxycarbonyl-4-phenyl-isonipecotoyl)amino]-4-(methylthio)butyrate Formula: C22H31N2O5S- MolecularWeight: 435.55694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)N[C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C22H32N2O5S/c1-21(2,3)29-20(28)24-13-11-22(12-14-24,16-8-6-5-7-9-16)19(27)23-17(18(25)26)10-15-30-4/h5-9,17H,10-15H2,1-4H3,(H,23,27)(H,25,26)/p-1/t17-/m0/s1