[3-[[4-[[4-[[3-[[5-[[5-[(3-azaniumylidene-3-azanyl-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]amino]-3-oxidanylidene-propanoyl]amino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-azanyl-propylidene]azanium dichloride

Systemtic Name: [3-[[4-[[4-[[3-[[5-[[5-[(3-azaniumylidene-3-azanyl-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]amino]-3-oxidanylidene-propanoyl]amino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-azanyl-propylidene]azanium dichloride Openeye Name: [1-amino-3-[[4-[[4-[[3-[[5-[[5-[(3-amino-3-azaniumylidene-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]amino]-3-oxo-propanoyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]propylidene]ammonium dichloride CAS Name: [1-amino-3-[[[4-[[[4-[[3-[[5-[[[5-[[(3-amino-3-iminiopropyl)amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-1,3-dioxopropyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]propylidene]ammonium dichloride IUPAC Name: [1-amino-3-[[4-[[4-[[3-[[5-[[5-[(3-amino-3-azaniumylidenepropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-3-oxopropanoyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]propylidene]azanium dichloride Traditional Name: [1-amino-3-[[4-[[4-[[3-[[5-[[5-[(3-amino-3-iminio-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]amino]-3-keto-propanoyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]propylidene]ammonium dichloride Formula: C33H44Cl2N14O6 MolecularWeight: 803.69866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC(=[NH2+])N)C)NC(=O)CC(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NCCC(=[NH2+])N)C)C.[Cl-].[Cl-]

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC(=[NH2+])N)C)NC(=O)CC(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NCCC(=[NH2+])N)C)C.[Cl-].[Cl-]

InChI

InChI=1S/C33H42N14O6.2ClH/c1-44-16-20(11-22(44)30(50)38-7-5-26(34)35)42-32(52)24-9-18(14-46(24)3)40-28(48)13-29(49)41-19-10-25(47(4)15-19)33(53)43-21-12-23(45(2)17-21)31(51)39-8-6-27(36)37;;/h9-12,14-17H,5-8,13H2,1-4H3,(H3,34,35)(H3,36,37)(H,38,50)(H,39,51)(H,40,48)(H,41,49)(H,42,52)(H,43,53);2*1H