N2,N2,N5,N5-tetrakis[5-[(2-azanyl-2-methylimino-ethyl)carbamoyl]-1-butyl-pyrrol-3-yl]pyridine-2,5-dicarboxamide

Systemtic Name: N2,N2,N5,N5-tetrakis[5-[(2-azanyl-2-methylimino-ethyl)carbamoyl]-1-butyl-pyrrol-3-yl]pyridine-2,5-dicarboxamide Openeye Name: N2,N2,N5,N5-tetrakis[5-[(2-amino-2-methylimino-ethyl)carbamoyl]-1-butyl-pyrrol-3-yl]pyridine-2,5-dicarboxamide CAS Name: N2,N2,N5,N5-tetrakis[5-[[(2-amino-2-methyliminoethyl)amino]-oxomethyl]-1-butyl-3-pyrrolyl]pyridine-2,5-dicarboxamide IUPAC Name: 2-N,2-N,5-N,5-N-tetrakis[5-[(2-amino-2-methyliminoethyl)carbamoyl]-1-butylpyrrol-3-yl]pyridine-2,5-dicarboxamide Traditional Name: N,N,N',N'-tetrakis[5-[(2-amino-2-methylimino-ethyl)carbamoyl]-1-butyl-pyrrol-3-yl]isocinchomeronamide Formula: C55H79N19O6 MolecularWeight: 1102.33946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C=C1C(=O)NCC(=NC)N)N(C2=CN(C(=C2)C(=O)NCC(=NC)N)CCCC)C(=O)C3=CN=C(C=C3)C(=O)N(C4=CN(C(=C4)C(=O)NCC(=NC)N)CCCC)C5=CN(C(=C5)C(=O)NCC(=NC)N)CCCC

Isomeric SMILES

CCCCN1C=C(C=C1C(=O)NCC(=NC)N)N(C2=CN(C(=C2)C(=O)NCC(=NC)N)CCCC)C(=O)C3=CN=C(C=C3)C(=O)N(C4=CN(C(=C4)C(=O)NCC(=NC)N)CCCC)C5=CN(C(=C5)C(=O)NCC(=NC)N)CCCC

InChI

InChI=1S/C55H79N19O6/c1-9-13-19-69-32-37(23-42(69)50(75)65-28-46(56)60-5)73(38-24-43(70(33-38)20-14-10-2)51(76)66-29-47(57)61-6)54(79)36-17-18-41(64-27-36)55(80)74(39-25-44(71(34-39)21-15-11-3)52(77)67-30-48(58)62-7)40-26-45(72(35-40)22-16-12-4)53(78)68-31-49(59)63-8/h17-18,23-27,32-35H,9-16,19-22,28-31H2,1-8H3,(H2,56,60)(H2,57,61)(H2,58,62)(H2,59,63)(H,65,75)(H,66,76)(H,67,77)(H,68,78)