N1,N4-bis[5-[(3-azanyl-3-propan-2-ylimino-propyl)carbamoyl]-1-(3-methylbutyl)pyrrol-3-yl]benzene-1,4-dicarboxamide

Systemtic Name: N1,N4-bis[5-[(3-azanyl-3-propan-2-ylimino-propyl)carbamoyl]-1-(3-methylbutyl)pyrrol-3-yl]benzene-1,4-dicarboxamide Openeye Name: N1,N4-bis[5-[(3-amino-3-isopropylimino-propyl)carbamoyl]-1-isopentyl-pyrrol-3-yl]terephthalamide CAS Name: N1,N4-bis[5-[[(3-amino-3-propan-2-yliminopropyl)amino]-oxomethyl]-1-(3-methylbutyl)-3-pyrrolyl]benzene-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis[5-[(3-amino-3-propan-2-yliminopropyl)carbamoyl]-1-(3-methylbutyl)pyrrol-3-yl]benzene-1,4-dicarboxamide Traditional Name: N,N'-bis[5-[(3-amino-3-isopropylimino-propyl)carbamoyl]-1-isoamyl-pyrrol-3-yl]terephthalamide Formula: C40H60N10O4 MolecularWeight: 744.969

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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