(phenylmethyl) N-[4-[bis(phenylmethoxycarbonyl)amino]-6-bromanyl-5-oxidanylidene-hexyl]-N-carbamimidoyl-carbamate

Systemtic Name: (phenylmethyl) N-[4-[bis(phenylmethoxycarbonyl)amino]-6-bromanyl-5-oxidanylidene-hexyl]-N-carbamimidoyl-carbamate Openeye Name: benzyl N-benzyloxycarbonyl-N-[4-[benzyloxycarbonyl(carbamimidoyl)amino]-1-(2-bromoacetyl)butyl]carbamate CAS Name: N-[4-[bis(phenylmethoxycarbonyl)amino]-6-bromo-5-oxohexyl]-N-carbamimidoylcarbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[4-[bis(phenylmethoxycarbonyl)amino]-6-bromo-5-oxohexyl]-N-carbamimidoylcarbamate Traditional Name: N-amidino-N-[6-bromo-4-(dicarbobenzoxyamino)-5-keto-hexyl]carbamic acid benzyl ester Formula: C31H33BrN4O7 MolecularWeight: 653.52032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N(CCCC(C(=O)CBr)N(C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N(CCCC(C(=O)CBr)N(C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C(=N)N

InChI

InChI=1S/C31H33BrN4O7/c32-19-27(37)26(17-10-18-35(28(33)34)29(38)41-20-23-11-4-1-5-12-23)36(30(39)42-21-24-13-6-2-7-14-24)31(40)43-22-25-15-8-3-9-16-25/h1-9,11-16,26H,10,17-22H2,(H3,33,34)