methyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)hexanoyl]amino]cyclohexane-1-carboxylate

Systemtic Name: methyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)hexanoyl]amino]cyclohexane-1-carboxylate Openeye Name: methyl 2-[[3-(benzyloxycarbonylamino)-6-(tert-butoxycarbonylamino)hexanoyl]amino]cyclohexanecarboxylate CAS Name: 2-[[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-(phenylmethoxycarbonylamino)hexyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)hexanoyl]amino]cyclohexane-1-carboxylate Traditional Name: 2-[[3-(benzyloxycarbonylamino)-6-(tert-butoxycarbonylamino)hexanoyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C27H41N3O7 MolecularWeight: 519.63034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCC(CC(=O)NC1CCCCC1C(=O)OC)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC(CC(=O)NC1CCCCC1C(=O)OC)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C27H41N3O7/c1-27(2,3)37-25(33)28-16-10-13-20(29-26(34)36-18-19-11-6-5-7-12-19)17-23(31)30-22-15-9-8-14-21(22)24(32)35-4/h5-7,11-12,20-22H,8-10,13-18H2,1-4H3,(H,28,33)(H,29,34)(H,30,31)