methyl 3-(1-acetamido-2-ethyl-butyl)-2-(6-azanylhexylcarbamoyloxy)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate

Systemtic Name: methyl 3-(1-acetamido-2-ethyl-butyl)-2-(6-azanylhexylcarbamoyloxy)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate Openeye Name: methyl 3-(1-acetamido-2-ethyl-butyl)-2-(6-aminohexylcarbamoyloxy)-4-(tert-butoxycarbonylamino)cyclopentanecarboxylate CAS Name: 3-(1-acetamido-2-ethylbutyl)-2-[(6-aminohexylamino)-oxomethoxy]-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-cyclopentanecarboxylic acid methyl ester IUPAC Name: methyl 3-(1-acetamido-2-ethylbutyl)-2-(6-aminohexylcarbamoyloxy)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate Traditional Name: 3-(1-acetamido-2-ethyl-butyl)-2-(6-aminohexylcarbamoyloxy)-4-(tert-butoxycarbonylamino)cyclopentanecarboxylic acid methyl ester Formula: C27H50N4O7 MolecularWeight: 542.7085

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(C1C(CC(C1OC(=O)NCCCCCCN)C(=O)OC)NC(=O)OC(C)(C)C)NC(=O)C

Isomeric SMILES

CCC(CC)C(C1C(CC(C1OC(=O)NCCCCCCN)C(=O)OC)NC(=O)OC(C)(C)C)NC(=O)C

InChI

InChI=1S/C27H50N4O7/c1-8-18(9-2)22(30-17(3)32)21-20(31-26(35)38-27(4,5)6)16-19(24(33)36-7)23(21)37-25(34)29-15-13-11-10-12-14-28/h18-23H,8-16,28H2,1-7H3,(H,29,34)(H,30,32)(H,31,35)