N1,N3-bis[3-[5-[bis(azanyl)methylideneamino]pentanoylamino]-2-[5-[bis(azanyl)methylideneamino]pentylsulfanyl]-5-tert-butyl-phenyl]benzene-1,3-dicarboxamide

Systemtic Name: N1,N3-bis[3-[5-[bis(azanyl)methylideneamino]pentanoylamino]-2-[5-[bis(azanyl)methylideneamino]pentylsulfanyl]-5-tert-butyl-phenyl]benzene-1,3-dicarboxamide Openeye Name: N1,N3-bis[5-tert-butyl-3-(5-guanidinopentanoylamino)-2-(5-guanidinopentylsulfanyl)phenyl]benzene-1,3-dicarboxamide CAS Name: N1,N3-bis[5-tert-butyl-3-[[5-(diaminomethylideneamino)-1-oxopentyl]amino]-2-[5-(diaminomethylideneamino)pentylthio]phenyl]benzene-1,3-dicarboxamide IUPAC Name: 1-N,3-N-bis[5-tert-butyl-3-[5-(diaminomethylideneamino)pentanoylamino]-2-[5-(diaminomethylideneamino)pentylsulfanyl]phenyl]benzene-1,3-dicarboxamide Traditional Name: N,N'-bis[5-tert-butyl-3-(5-guanidinopentanoylamino)-2-(5-guanidinopentylthio)phenyl]isophthalamide Formula: C52H82N16O4S2 MolecularWeight: 1059.44228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)NC(=O)CCCCN=C(N)N)SCCCCCN=C(N)N)NC(=O)C2=CC(=CC=C2)C(=O)NC3=C(C(=CC(=C3)C(C)(C)C)NC(=O)CCCCN=C(N)N)SCCCCCN=C(N)N

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)NC(=O)CCCCN=C(N)N)SCCCCCN=C(N)N)NC(=O)C2=CC(=CC=C2)C(=O)NC3=C(C(=CC(=C3)C(C)(C)C)NC(=O)CCCCN=C(N)N)SCCCCCN=C(N)N

InChI

InChI=1S/C52H82N16O4S2/c1-51(2,3)35-29-37(65-41(69)20-9-13-24-63-49(57)58)43(73-26-15-7-11-22-61-47(53)54)39(31-35)67-45(71)33-18-17-19-34(28-33)46(72)68-40-32-36(52(4,5)6)30-38(66-42(70)21-10-14-25-64-50(59)60)44(40)74-27-16-8-12-23-62-48(55)56/h17-19,28-32H,7-16,20-27H2,1-6H3,(H,65,69)(H,66,70)(H,67,71)(H,68,72)(H4,53,54,61)(H4,55,56,62)(H4,57,58,63)(H4,59,60,64)