methyl 2-[[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoyl]amino]-3-(3-hexoxyphenyl)propanoate

Systemtic Name: methyl 2-[[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoyl]amino]-3-(3-hexoxyphenyl)propanoate Openeye Name: methyl 2-[[2-(tert-butoxycarbonylamino)-2-cyclohexyl-acetyl]amino]-3-(3-hexoxyphenyl)propanoate CAS Name: 2-[[2-cyclohexyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]amino]-3-(3-hexoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 2-[[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-3-(3-hexoxyphenyl)propanoate Traditional Name: 2-[[2-(tert-butoxycarbonylamino)-2-cyclohexyl-acetyl]amino]-3-(3-hexoxyphenyl)propionic acid methyl ester Formula: C29H46N2O6 MolecularWeight: 518.68534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC(=C1)CC(C(=O)OC)NC(=O)C(C2CCCCC2)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCOC1=CC=CC(=C1)CC(C(=O)OC)NC(=O)C(C2CCCCC2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C29H46N2O6/c1-6-7-8-12-18-36-23-17-13-14-21(19-23)20-24(27(33)35-5)30-26(32)25(22-15-10-9-11-16-22)31-28(34)37-29(2,3)4/h13-14,17,19,22,24-25H,6-12,15-16,18,20H2,1-5H3,(H,30,32)(H,31,34)