4-[[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]methyl]cyclohexane-1-carboxylate

Systemtic Name: 4-[[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]methyl]cyclohexanecarboxylate Formula: C22H31N2O5- MolecularWeight: 403.49194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NCC2CCC(CC2)C(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC2CCC(CC2)C(=O)[O-]

InChI

InChI=1S/C22H32N2O5/c1-22(2,3)29-21(28)24-18(13-15-7-5-4-6-8-15)19(25)23-14-16-9-11-17(12-10-16)20(26)27/h4-8,16-18H,9-14H2,1-3H3,(H,23,25)(H,24,28)(H,26,27)/p-1/t16?,17?,18-/m0/s1