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

Systemtic Name: N1,N4-bis[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-(3-methylbutyl)pyrrol-3-yl]benzene-1,4-dicarboxamide Openeye Name: N1,N4-bis[5-[(3-amino-3-imino-propyl)carbamoyl]-1-isopentyl-pyrrol-3-yl]terephthalamide CAS Name: N1,N4-bis[5-[[(3-amino-3-iminopropyl)amino]-oxomethyl]-1-(3-methylbutyl)-3-pyrrolyl]benzene-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis[5-[(3-amino-3-iminopropyl)carbamoyl]-1-(3-methylbutyl)pyrrol-3-yl]benzene-1,4-dicarboxamide Traditional Name: N,N'-bis[5-[(3-amino-3-imino-propyl)carbamoyl]-1-isoamyl-pyrrol-3-yl]terephthalamide Formula: C34H48N10O4 MolecularWeight: 660.80952

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C34H48N10O4/c1-21(2)11-15-43-19-25(17-27(43)33(47)39-13-9-29(35)36)41-31(45)23-5-7-24(8-6-23)32(46)42-26-18-28(34(48)40-14-10-30(37)38)44(20-26)16-12-22(3)4/h5-8,17-22H,9-16H2,1-4H3,(H3,35,36)(H3,37,38)(H,39,47)(H,40,48)(H,41,45)(H,42,46)