methyl 3-[[6-azanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-4-cyclohexyl-benzoate

Systemtic Name: methyl 3-[[6-azanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-4-cyclohexyl-benzoate Openeye Name: methyl 3-[[6-amino-2-(tert-butoxycarbonylamino)hexanoyl]amino]-4-cyclohexyl-benzoate CAS Name: 3-[[6-amino-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxohexyl]amino]-4-cyclohexylbenzoic acid methyl ester IUPAC Name: methyl 3-[[6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-4-cyclohexylbenzoate Traditional Name: 3-[[6-amino-2-(tert-butoxycarbonylamino)hexanoyl]amino]-4-cyclohexyl-benzoic acid methyl ester Formula: C25H39N3O5 MolecularWeight: 461.59426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCCN)C(=O)NC1=C(C=CC(=C1)C(=O)OC)C2CCCCC2

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCCCN)C(=O)NC1=C(C=CC(=C1)C(=O)OC)C2CCCCC2

InChI

InChI=1S/C25H39N3O5/c1-25(2,3)33-24(31)28-20(12-8-9-15-26)22(29)27-21-16-18(23(30)32-4)13-14-19(21)17-10-6-5-7-11-17/h13-14,16-17,20H,5-12,15,26H2,1-4H3,(H,27,29)(H,28,31)