N-[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]-4-[8-[[5-[[5-[2-[bis(azanyl)methylideneamino]ethanoylamino]-1-methyl-pyrrol-3-yl]carbonylamino]-1-methyl-pyrrol-3-yl]carbonylamino]octanoylamino]-1-methyl-pyrrole-2-carboxamide

Systemtic Name: N-[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]-4-[8-[[5-[[5-[2-[bis(azanyl)methylideneamino]ethanoylamino]-1-methyl-pyrrol-3-yl]carbonylamino]-1-methyl-pyrrol-3-yl]carbonylamino]octanoylamino]-1-methyl-pyrrole-2-carboxamide Openeye Name: N-[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]-4-[8-[[5-[[5-[(2-guanidinoacetyl)amino]-1-methyl-pyrrole-3-carbonyl]amino]-1-methyl-pyrrole-3-carbonyl]amino]octanoylamino]-1-methyl-pyrrole-2-carboxamide CAS Name: N-[5-[[(3-amino-3-iminopropyl)amino]-oxomethyl]-1-methyl-3-pyrrolyl]-4-[[8-[[[5-[[[5-[[2-(diaminomethylideneamino)-1-oxoethyl]amino]-1-methyl-3-pyrrolyl]-oxomethyl]amino]-1-methyl-3-pyrrolyl]-oxomethyl]amino]-1-oxooctyl]amino]-1-methyl-2-pyrrolecarboxamide IUPAC Name: N-[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]-4-[8-[[5-[[5-[[2-(diaminomethylideneamino)acetyl]amino]-1-methylpyrrole-3-carbonyl]amino]-1-methylpyrrole-3-carbonyl]amino]octanoylamino]-1-methylpyrrole-2-carboxamide Traditional Name: N-[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]-4-[8-[[5-[[5-[(2-guanidinoacetyl)amino]-1-methyl-pyrrole-3-carbonyl]amino]-1-methyl-pyrrole-3-carbonyl]amino]octanoylamino]-1-methyl-pyrrole-2-carboxamide Formula: C38H53N15O6 MolecularWeight: 815.92432

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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)CCCCCCCNC(=O)C3=CN(C(=C3)NC(=O)C4=CN(C(=C4)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)CCCCCCCNC(=O)C3=CN(C(=C3)NC(=O)C4=CN(C(=C4)NC(=O)CN=C(N)N)C)C

InChI

InChI=1S/C38H53N15O6/c1-50-22-26(17-27(50)36(58)44-13-11-29(39)40)47-37(59)28-16-25(21-51(28)2)46-32(54)10-8-6-5-7-9-12-43-34(56)23-14-31(53(4)19-23)49-35(57)24-15-30(52(3)20-24)48-33(55)18-45-38(41)42/h14-17,19-22H,5-13,18H2,1-4H3,(H3,39,40)(H,43,56)(H,44,58)(H,46,54)(H,47,59)(H,48,55)(H,49,57)(H4,41,42,45)