tert-butyl N-[N'-(1-adamantylmethyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-N-(5-oxidanylidenepentyl)carbamate

Systemtic Name: tert-butyl N-[N'-(1-adamantylmethyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-N-(5-oxidanylidenepentyl)carbamate Openeye Name: tert-butyl N-[N'-(1-adamantylmethyl)-N-tert-butoxycarbonyl-carbamimidoyl]-N-(5-oxopentyl)carbamate CAS Name: N-[1-adamantylmethylimino-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-N-(5-oxopentyl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[N'-(1-adamantylmethyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-N-(5-oxopentyl)carbamate Traditional Name: N-[N'-(1-adamantylmethyl)-N-tert-butoxycarbonyl-amidino]-N-(5-ketopentyl)carbamic acid tert-butyl ester Formula: C27H45N3O5 MolecularWeight: 491.6633

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(=NCC12CC3CC(C1)CC(C3)C2)N(CCCCC=O)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NC(=NCC12CC3CC(C1)CC(C3)C2)N(CCCCC=O)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H45N3O5/c1-25(2,3)34-23(32)29-22(30(10-8-7-9-11-31)24(33)35-26(4,5)6)28-18-27-15-19-12-20(16-27)14-21(13-19)17-27/h11,19-21H,7-10,12-18H2,1-6H3,(H,28,29,32)