N-[5-[[5-[[(3R)-3-azanyl-4-[[2-[[5-[[5-[[5-(3-azanyloxypropylcarbamoyl)-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-imidazol-4-yl]amino]-4-oxidanylidene-butyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-4-[(1-methylimidazol-2-yl)carbonylamino]imidazole-2-carboxamide

Systemtic Name: N-[5-[[5-[[(3R)-3-azanyl-4-[[2-[[5-[[5-[[5-(3-azanyloxypropylcarbamoyl)-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-imidazol-4-yl]amino]-4-oxidanylidene-butyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-4-[(1-methylimidazol-2-yl)carbonylamino]imidazole-2-carboxamide Openeye Name: N-[5-[[5-[[(3R)-3-amino-4-[[2-[[5-[[5-[[5-(3-aminooxypropylcarbamoyl)-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-imidazol-4-yl]amino]-4-oxo-butyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carboxamide CAS Name: N-[5-[[[5-[[[(3R)-3-amino-4-[[2-[[[5-[[[5-[[[5-[(3-aminooxypropylamino)-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-4-imidazolyl]amino]-4-oxobutyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]-1-methyl-4-[[(1-methyl-2-imidazolyl)-oxomethyl]amino]-2-imidazolecarboxamide IUPAC Name: N-[5-[[5-[[(3R)-3-amino-4-[[2-[[5-[[5-[[5-(3-aminooxypropylcarbamoyl)-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylimidazol-4-yl]amino]-4-oxobutyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carboxamide Traditional Name: N-[5-[[5-[[(3R)-3-amino-4-[[2-[[5-[[5-[[5-(3-aminooxypropylcarbamoyl)-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-imidazol-4-yl]amino]-4-keto-butyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carboxamide Formula: C52H62N22O10 MolecularWeight: 1155.19008

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(=O)NC2=CN(C(=N2)C(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NCCC(C(=O)NC5=CN(C(=N5)C(=O)NC6=CN(C(=C6)C(=O)NC7=CN(C(=C7)C(=O)NC8=CN(C(=C8)C(=O)NCCCON)C)C)C)C)N)C)C)C

Isomeric SMILES

CN1C=CN=C1C(=O)NC2=CN(C(=N2)C(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NCC[C@H](C(=O)NC5=CN(C(=N5)C(=O)NC6=CN(C(=C6)C(=O)NC7=CN(C(=C7)C(=O)NC8=CN(C(=C8)C(=O)NCCCON)C)C)C)C)N)C)C)C

InChI

InChI=1S/C52H62N22O10/c1-67-14-13-55-41(67)50(81)66-40-27-74(8)43(64-40)52(83)62-32-19-37(71(5)25-32)48(79)59-29-17-35(69(3)22-29)46(77)57-12-10-33(53)44(75)65-39-26-73(7)42(63-39)51(82)61-31-20-38(72(6)24-31)49(80)60-30-18-36(70(4)23-30)47(78)58-28-16-34(68(2)21-28)45(76)56-11-9-15-84-54/h13-14,16-27,33H,9-12,15,53-54H2,1-8H3,(H,56,76)(H,57,77)(H,58,78)(H,59,79)(H,60,80)(H,61,82)(H,62,83)(H,65,75)(H,66,81)/t33-/m1/s1