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

Systemtic Name: N1,N4-bis[5-[(5-azanyl-5-azanylidene-pentyl)carbamoyl]-1-(3-methylbutyl)pyrrol-3-yl]benzene-1,4-dicarboxamide Openeye Name: N1,N4-bis[5-[(5-amino-5-imino-pentyl)carbamoyl]-1-isopentyl-pyrrol-3-yl]terephthalamide CAS Name: N1,N4-bis[5-[[(5-amino-5-iminopentyl)amino]-oxomethyl]-1-(3-methylbutyl)-3-pyrrolyl]benzene-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis[5-[(5-amino-5-iminopentyl)carbamoyl]-1-(3-methylbutyl)pyrrol-3-yl]benzene-1,4-dicarboxamide Traditional Name: N,N'-bis[5-[(5-amino-5-imino-pentyl)carbamoyl]-1-isoamyl-pyrrol-3-yl]terephthalamide Formula: C38H56N10O4 MolecularWeight: 716.91584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H56N10O4/c1-25(2)15-19-47-23-29(21-31(47)37(51)43-17-7-5-9-33(39)40)45-35(49)27-11-13-28(14-12-27)36(50)46-30-22-32(48(24-30)20-16-26(3)4)38(52)44-18-8-6-10-34(41)42/h11-14,21-26H,5-10,15-20H2,1-4H3,(H3,39,40)(H3,41,42)(H,43,51)(H,44,52)(H,45,49)(H,46,50)