N,N'-bis[(4-carbamimidoylphenyl)-diphenoxyphosphoryl-methyl]octanediamide

Systemtic Name: N,N'-bis[(4-carbamimidoylphenyl)-diphenoxyphosphoryl-methyl]octanediamide Openeye Name: N,N'-bis[(4-carbamimidoylphenyl)-diphenoxyphosphoryl-methyl]octanediamide CAS Name: N,N'-bis[(4-carbamimidoylphenyl)-diphenoxyphosphorylmethyl]octanediamide IUPAC Name: N,N'-bis[(4-carbamimidoylphenyl)-diphenoxyphosphorylmethyl]octanediamide Traditional Name: N,N'-bis[(4-amidinophenyl)-diphenoxyphosphoryl-methyl]suberamide Formula: C48H50N6O8P2 MolecularWeight: 900.893522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OP(=O)(C(C2=CC=C(C=C2)C(=N)N)NC(=O)CCCCCCC(=O)NC(C3=CC=C(C=C3)C(=N)N)P(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5)OC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)OP(=O)(C(C2=CC=C(C=C2)C(=N)N)NC(=O)CCCCCCC(=O)NC(C3=CC=C(C=C3)C(=N)N)P(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5)OC6=CC=CC=C6

InChI

InChI=1S/C48H50N6O8P2/c49-45(50)35-27-31-37(32-28-35)47(63(57,59-39-17-7-3-8-18-39)60-40-19-9-4-10-20-40)53-43(55)25-15-1-2-16-26-44(56)54-48(38-33-29-36(30-34-38)46(51)52)64(58,61-41-21-11-5-12-22-41)62-42-23-13-6-14-24-42/h3-14,17-24,27-34,47-48H,1-2,15-16,25-26H2,(H3,49,50)(H3,51,52)(H,53,55)(H,54,56)