bis[[4-[bis(azanyl)methylideneamino]phenyl]methylcarbamoylamino] cyclooctane-1,5-dicarboxylate

Systemtic Name: bis[[4-[bis(azanyl)methylideneamino]phenyl]methylcarbamoylamino] cyclooctane-1,5-dicarboxylate Openeye Name: bis[(4-guanidinophenyl)methylcarbamoylamino] cyclooctane-1,5-dicarboxylate CAS Name: cyclooctane-1,5-dicarboxylic acid bis[[[[4-(diaminomethylideneamino)phenyl]methylamino]-oxomethyl]amino] ester IUPAC Name: bis[[4-(diaminomethylideneamino)phenyl]methylcarbamoylamino] cyclooctane-1,5-dicarboxylate Traditional Name: cyclooctane-1,5-dicarboxylic acid bis[(4-guanidinobenzyl)carbamoylamino] ester Formula: C28H38N10O6 MolecularWeight: 610.66472

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCCC(C1)C(=O)ONC(=O)NCC2=CC=C(C=C2)N=C(N)N)C(=O)ONC(=O)NCC3=CC=C(C=C3)N=C(N)N

Isomeric SMILES

C1CC(CCCC(C1)C(=O)ONC(=O)NCC2=CC=C(C=C2)N=C(N)N)C(=O)ONC(=O)NCC3=CC=C(C=C3)N=C(N)N

InChI

InChI=1S/C28H38N10O6/c29-25(30)35-21-11-7-17(8-12-21)15-33-27(41)37-43-23(39)19-3-1-4-20(6-2-5-19)24(40)44-38-28(42)34-16-18-9-13-22(14-10-18)36-26(31)32/h7-14,19-20H,1-6,15-16H2,(H4,29,30,35)(H4,31,32,36)(H2,33,37,41)(H2,34,38,42)