N1,N4-bis[5-[carbamimidoyl(ethyl)carbamoyl]-1-(cyclopropylmethyl)pyrrol-3-yl]benzene-1,4-dicarboxamide

Systemtic Name: N1,N4-bis[5-[carbamimidoyl(ethyl)carbamoyl]-1-(cyclopropylmethyl)pyrrol-3-yl]benzene-1,4-dicarboxamide Openeye Name: N1,N4-bis[5-[carbamimidoyl(ethyl)carbamoyl]-1-(cyclopropylmethyl)pyrrol-3-yl]terephthalamide CAS Name: N1,N4-bis[5-[[carbamimidoyl(ethyl)amino]-oxomethyl]-1-(cyclopropylmethyl)-3-pyrrolyl]benzene-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis[5-[carbamimidoyl(ethyl)carbamoyl]-1-(cyclopropylmethyl)pyrrol-3-yl]benzene-1,4-dicarboxamide Traditional Name: N,N'-bis[5-[amidino(ethyl)carbamoyl]-1-(cyclopropylmethyl)pyrrol-3-yl]terephthalamide Formula: C32H40N10O4 MolecularWeight: 628.7246

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)C1=CC(=CN1CC2CC2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CN(C(=C4)C(=O)N(CC)C(=N)N)CC5CC5)C(=N)N

Isomeric SMILES

CCN(C(=O)C1=CC(=CN1CC2CC2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CN(C(=C4)C(=O)N(CC)C(=N)N)CC5CC5)C(=N)N

InChI

InChI=1S/C32H40N10O4/c1-3-41(31(33)34)29(45)25-13-23(17-39(25)15-19-5-6-19)37-27(43)21-9-11-22(12-10-21)28(44)38-24-14-26(30(46)42(4-2)32(35)36)40(18-24)16-20-7-8-20/h9-14,17-20H,3-8,15-16H2,1-2H3,(H3,33,34)(H3,35,36)(H,37,43)(H,38,44)