4-[[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoyl]amino]methyl]cyclohexane-1-carboxylate

Systemtic Name: 4-[[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[[(2S)-2-(tert-butoxycarbonylamino)-4-methylsulfanyl-butanoyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[[(2S)-2-(tert-butoxycarbonylamino)-4-(methylthio)butanoyl]amino]methyl]cyclohexanecarboxylate Formula: C18H31N2O5S- MolecularWeight: 387.51414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCSC)C(=O)NCC1CCC(CC1)C(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCSC)C(=O)NCC1CCC(CC1)C(=O)[O-]

InChI

InChI=1S/C18H32N2O5S/c1-18(2,3)25-17(24)20-14(9-10-26-4)15(21)19-11-12-5-7-13(8-6-12)16(22)23/h12-14H,5-11H2,1-4H3,(H,19,21)(H,20,24)(H,22,23)/p-1/t12?,13?,14-/m0/s1