N,N'-bis[2-[[5-[[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-propyl-pyrrol-3-yl]carbamoyl]-1-propyl-pyrrol-3-yl]amino]-2-oxidanylidene-ethyl]dodecanediamide dihydrochloride

Systemtic Name: N,N'-bis[2-[[5-[[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-propyl-pyrrol-3-yl]carbamoyl]-1-propyl-pyrrol-3-yl]amino]-2-oxidanylidene-ethyl]dodecanediamide dihydrochloride Openeye Name: N,N'-bis[2-[[5-[[5-[(3-amino-3-imino-propyl)carbamoyl]-1-propyl-pyrrol-3-yl]carbamoyl]-1-propyl-pyrrol-3-yl]amino]-2-oxo-ethyl]dodecanediamide dihydrochloride CAS Name: N,N'-bis[2-[[5-[[[5-[[(3-amino-3-iminopropyl)amino]-oxomethyl]-1-propyl-3-pyrrolyl]amino]-oxomethyl]-1-propyl-3-pyrrolyl]amino]-2-oxoethyl]dodecanediamide dihydrochloride IUPAC Name: N,N'-bis[2-[[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-propylpyrrol-3-yl]carbamoyl]-1-propylpyrrol-3-yl]amino]-2-oxoethyl]dodecanediamide dihydrochloride Traditional Name: N,N'-bis[2-[[5-[[5-[(3-amino-3-imino-propyl)carbamoyl]-1-propyl-pyrrol-3-yl]carbamoyl]-1-propyl-pyrrol-3-yl]amino]-2-keto-ethyl]dodecanediamide dihydrochloride Formula: C54H84Cl2N16O8 MolecularWeight: 1156.25316

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC(=N)N)CCC)NC(=O)CNC(=O)CCCCCCCCCCC(=O)NCC(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NCCC(=N)N)CCC)CCC.Cl.Cl

Isomeric SMILES

CCCN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC(=N)N)CCC)NC(=O)CNC(=O)CCCCCCCCCCC(=O)NCC(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NCCC(=N)N)CCC)CCC.Cl.Cl

InChI

InChI=1S/C54H82N16O8.2ClH/c1-5-23-67-35-39(29-41(67)51(75)59-21-19-45(55)56)65-53(77)43-27-37(33-69(43)25-7-3)63-49(73)31-61-47(71)17-15-13-11-9-10-12-14-16-18-48(72)62-32-50(74)64-38-28-44(70(34-38)26-8-4)54(78)66-40-30-42(68(36-40)24-6-2)52(76)60-22-20-46(57)58;;/h27-30,33-36H,5-26,31-32H2,1-4H3,(H3,55,56)(H3,57,58)(H,59,75)(H,60,76)(H,61,71)(H,62,72)(H,63,73)(H,64,74)(H,65,77)(H,66,78);2*1H