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

Systemtic Name: (phenylmethyl) 1-[[(2S)-2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]carbonylamino]-3-phenyl-propanoyl]amino]cyclohexane-1-carboxylate Openeye Name: benzyl 1-[[(2S)-2-[[4-[(tert-butoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]-3-phenyl-propanoyl]amino]cyclohexanecarboxylate CAS Name: 1-[[(2S)-2-[[[4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]cyclohexyl]-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-1-cyclohexanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[[(2S)-2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexanecarbonyl]amino]-3-phenylpropanoyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[(2S)-2-[[4-[(tert-butoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]-3-phenyl-propanoyl]amino]cyclohexanecarboxylic acid benzyl ester Formula: C36H49N3O6 MolecularWeight: 619.79076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1CCC(CC1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC3(CCCCC3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)NCC1CCC(CC1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NC3(CCCCC3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C36H49N3O6/c1-35(2,3)45-34(43)37-24-27-17-19-29(20-18-27)31(40)38-30(23-26-13-7-4-8-14-26)32(41)39-36(21-11-6-12-22-36)33(42)44-25-28-15-9-5-10-16-28/h4-5,7-10,13-16,27,29-30H,6,11-12,17-25H2,1-3H3,(H,37,43)(H,38,40)(H,39,41)/t27?,29?,30-/m0/s1