N,N'-bis[5-[[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]heptanediamide hydrochloride

Systemtic Name: N,N'-bis[5-[[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]heptanediamide hydrochloride Openeye Name: N,N'-bis[5-[[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]heptanediamide hydrochloride CAS Name: N,N'-bis[5-[[[5-[[(3-amino-3-iminopropyl)amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]heptanediamide hydrochloride IUPAC Name: N,N'-bis[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]heptanediamide hydrochloride Traditional Name: N,N'-bis[5-[[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]pimelamide hydrochloride Formula: C37H51ClN14O6 MolecularWeight: 823.34404

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC(=N)N)C)NC(=O)CCCCCC(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NCCC(=N)N)C)C.Cl

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC(=N)N)C)NC(=O)CCCCCC(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NCCC(=N)N)C)C.Cl

InChI

InChI=1S/C37H50N14O6.ClH/c1-48-20-24(16-26(48)34(54)42-12-10-30(38)39)46-36(56)28-14-22(18-50(28)3)44-32(52)8-6-5-7-9-33(53)45-23-15-29(51(4)19-23)37(57)47-25-17-27(49(2)21-25)35(55)43-13-11-31(40)41;/h14-21H,5-13H2,1-4H3,(H3,38,39)(H3,40,41)(H,42,54)(H,43,55)(H,44,52)(H,45,53)(H,46,56)(H,47,57);1H