N1,N4-bis[5-(2-azanylethylcarbamoyl)-1-(3-methylbutyl)pyrrol-3-yl]benzene-1,4-dicarboxamide

Systemtic Name: N1,N4-bis[5-(2-azanylethylcarbamoyl)-1-(3-methylbutyl)pyrrol-3-yl]benzene-1,4-dicarboxamide Openeye Name: N1,N4-bis[5-(2-aminoethylcarbamoyl)-1-isopentyl-pyrrol-3-yl]terephthalamide CAS Name: N1,N4-bis[5-[(2-aminoethylamino)-oxomethyl]-1-(3-methylbutyl)-3-pyrrolyl]benzene-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis[5-(2-aminoethylcarbamoyl)-1-(3-methylbutyl)pyrrol-3-yl]benzene-1,4-dicarboxamide Traditional Name: N,N'-bis[5-(2-aminoethylcarbamoyl)-1-isoamyl-pyrrol-3-yl]terephthalamide Formula: C32H46N8O4 MolecularWeight: 606.75884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H46N8O4/c1-21(2)9-15-39-19-25(17-27(39)31(43)35-13-11-33)37-29(41)23-5-7-24(8-6-23)30(42)38-26-18-28(32(44)36-14-12-34)40(20-26)16-10-22(3)4/h5-8,17-22H,9-16,33-34H2,1-4H3,(H,35,43)(H,36,44)(H,37,41)(H,38,42)