N1,N4-bis[5-[(3-azanyl-3-propylimino-propyl)carbamoyl]-1-(3-methylbutyl)pyrrol-3-yl]benzene-1,4-dicarboxamide

Systemtic Name: N1,N4-bis[5-[(3-azanyl-3-propylimino-propyl)carbamoyl]-1-(3-methylbutyl)pyrrol-3-yl]benzene-1,4-dicarboxamide Openeye Name: N1,N4-bis[5-[(3-amino-3-propylimino-propyl)carbamoyl]-1-isopentyl-pyrrol-3-yl]terephthalamide CAS Name: N1,N4-bis[5-[[(3-amino-3-propyliminopropyl)amino]-oxomethyl]-1-(3-methylbutyl)-3-pyrrolyl]benzene-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis[5-[(3-amino-3-propyliminopropyl)carbamoyl]-1-(3-methylbutyl)pyrrol-3-yl]benzene-1,4-dicarboxamide Traditional Name: N,N'-bis[5-[(3-amino-3-propylimino-propyl)carbamoyl]-1-isoamyl-pyrrol-3-yl]terephthalamide Formula: C40H60N10O4 MolecularWeight: 744.969

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Descriptors Computed from Structure

Canonical SMILES:

CCCN=C(CCNC(=O)C1=CC(=CN1CCC(C)C)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=NCCC)N)CCC(C)C)N

Isomeric SMILES

CCCN=C(CCNC(=O)C1=CC(=CN1CCC(C)C)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=NCCC)N)CCC(C)C)N

InChI

InChI=1S/C40H60N10O4/c1-7-17-43-35(41)13-19-45-39(53)33-23-31(25-49(33)21-15-27(3)4)47-37(51)29-9-11-30(12-10-29)38(52)48-32-24-34(50(26-32)22-16-28(5)6)40(54)46-20-14-36(42)44-18-8-2/h9-12,23-28H,7-8,13-22H2,1-6H3,(H2,41,43)(H2,42,44)(H,45,53)(H,46,54)(H,47,51)(H,48,52)