(phenylmethyl) N-[N'-[(4R)-4-(2,2-diphenylethanoylamino)-5-oxidanylidene-5-[[(1R)-1-phenylethyl]amino]pentyl]-N-phenylmethoxycarbonyl-carbamimidoyl]carbamate

Systemtic Name: (phenylmethyl) N-[N'-[(4R)-4-(2,2-diphenylethanoylamino)-5-oxidanylidene-5-[[(1R)-1-phenylethyl]amino]pentyl]-N-phenylmethoxycarbonyl-carbamimidoyl]carbamate Openeye Name: benzyl N-[N-benzyloxycarbonyl-N'-[(4R)-4-[(2,2-diphenylacetyl)amino]-5-oxo-5-[[(1R)-1-phenylethyl]amino]pentyl]carbamimidoyl]carbamate CAS Name: N-[[(4R)-5-oxo-4-[(1-oxo-2,2-diphenylethyl)amino]-5-[[(1R)-1-phenylethyl]amino]pentyl]imino-(phenylmethoxycarbonylamino)methyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[N'-[(4R)-4-[(2,2-diphenylacetyl)amino]-5-oxo-5-[[(1R)-1-phenylethyl]amino]pentyl]-N-phenylmethoxycarbonylcarbamimidoyl]carbamate Traditional Name: N-[N-carbobenzoxy-N'-[(4R)-4-[(2,2-diphenylacetyl)amino]-5-keto-5-[[(1R)-1-phenylethyl]amino]pentyl]amidino]carbamic acid benzyl ester Formula: C44H45N5O6 MolecularWeight: 739.858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(CCCN=C(NC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)[C@@H](CCCN=C(NC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C44H45N5O6/c1-32(35-22-11-4-12-23-35)46-40(50)38(47-41(51)39(36-24-13-5-14-25-36)37-26-15-6-16-27-37)28-17-29-45-42(48-43(52)54-30-33-18-7-2-8-19-33)49-44(53)55-31-34-20-9-3-10-21-34/h2-16,18-27,32,38-39H,17,28-31H2,1H3,(H,46,50)(H,47,51)(H2,45,48,49,52,53)/t32-,38-/m1/s1