N-[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]-4-[[3-[[5-[[5-[2-[bis(azanyl)methylideneamino]ethanoylamino]-1-methyl-pyrrol-3-yl]carbonylamino]-1-methyl-pyrrol-3-yl]carbonylamino]phenyl]carbonylamino]-1-methyl-pyrrole-2-carboxamide

Systemtic Name: N-[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]-4-[[3-[[5-[[5-[2-[bis(azanyl)methylideneamino]ethanoylamino]-1-methyl-pyrrol-3-yl]carbonylamino]-1-methyl-pyrrol-3-yl]carbonylamino]phenyl]carbonylamino]-1-methyl-pyrrole-2-carboxamide Openeye Name: N-[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]-4-[[3-[[5-[[5-[(2-guanidinoacetyl)amino]-1-methyl-pyrrole-3-carbonyl]amino]-1-methyl-pyrrole-3-carbonyl]amino]benzoyl]amino]-1-methyl-pyrrole-2-carboxamide CAS Name: N-[5-[[(3-amino-3-iminopropyl)amino]-oxomethyl]-1-methyl-3-pyrrolyl]-4-[[[3-[[[5-[[[5-[[2-(diaminomethylideneamino)-1-oxoethyl]amino]-1-methyl-3-pyrrolyl]-oxomethyl]amino]-1-methyl-3-pyrrolyl]-oxomethyl]amino]phenyl]-oxomethyl]amino]-1-methyl-2-pyrrolecarboxamide IUPAC Name: N-[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]-4-[[3-[[5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-methylpyrrole-3-carbonyl]amino]-1-methylpyrrole-3-carbonyl]amino]benzoyl]amino]-1-methylpyrrole-2-carboxamide Traditional Name: N-[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]-4-[[3-[[5-[[5-[(2-guanidinoacetyl)amino]-1-methyl-pyrrole-3-carbonyl]amino]-1-methyl-pyrrole-3-carbonyl]amino]benzoyl]amino]-1-methyl-pyrrole-2-carboxamide Formula: C37H43N15O6 MolecularWeight: 793.83422

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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)C3=CC(=CC=C3)NC(=O)C4=CN(C(=C4)NC(=O)C5=CN(C(=C5)NC(=O)CN=C(N)N)C)C

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC(=N)N)C)NC(=O)C3=CC(=CC=C3)NC(=O)C4=CN(C(=C4)NC(=O)C5=CN(C(=C5)NC(=O)CN=C(N)N)C)C

InChI

InChI=1S/C37H43N15O6/c1-49-19-25(13-26(49)35(57)42-9-8-28(38)39)46-36(58)27-14-24(18-50(27)2)45-32(54)20-6-5-7-23(10-20)44-33(55)21-12-30(52(4)16-21)48-34(56)22-11-29(51(3)17-22)47-31(53)15-43-37(40)41/h5-7,10-14,16-19H,8-9,15H2,1-4H3,(H3,38,39)(H,42,57)(H,44,55)(H,45,54)(H,46,58)(H,47,53)(H,48,56)(H4,40,41,43)