N2,N4-bis[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-(3-methylbutyl)pyrrol-3-yl]pyridine-2,4-dicarboxamide

Systemtic Name: N2,N4-bis[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-(3-methylbutyl)pyrrol-3-yl]pyridine-2,4-dicarboxamide Openeye Name: N2,N4-bis[5-[(3-amino-3-imino-propyl)carbamoyl]-1-isopentyl-pyrrol-3-yl]pyridine-2,4-dicarboxamide CAS Name: N2,N4-bis[5-[[(3-amino-3-iminopropyl)amino]-oxomethyl]-1-(3-methylbutyl)-3-pyrrolyl]pyridine-2,4-dicarboxamide IUPAC Name: 2-N,4-N-bis[5-[(3-amino-3-iminopropyl)carbamoyl]-1-(3-methylbutyl)pyrrol-3-yl]pyridine-2,4-dicarboxamide Traditional Name: N,N'-bis[5-[(3-amino-3-imino-propyl)carbamoyl]-1-isoamyl-pyrrol-3-yl]lutidinamide Formula: C33H47N11O4 MolecularWeight: 661.79758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=C(C=C1C(=O)NCCC(=N)N)NC(=O)C2=CC(=NC=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=N)N)CCC(C)C

Isomeric SMILES

CC(C)CCN1C=C(C=C1C(=O)NCCC(=N)N)NC(=O)C2=CC(=NC=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=N)N)CCC(C)C

InChI

InChI=1S/C33H47N11O4/c1-20(2)8-13-43-18-23(16-26(43)32(47)39-11-6-28(34)35)41-30(45)22-5-10-38-25(15-22)31(46)42-24-17-27(33(48)40-12-7-29(36)37)44(19-24)14-9-21(3)4/h5,10,15-21H,6-9,11-14H2,1-4H3,(H3,34,35)(H3,36,37)(H,39,47)(H,40,48)(H,41,45)(H,42,46)