4-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-(3-methylpyrrolidin-1-yl)-2-[2-(oxidanylidenemethylidene)pyrrolidin-1-yl]butanoic acid

Systemtic Name: 4-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-(3-methylpyrrolidin-1-yl)-2-[2-(oxidanylidenemethylidene)pyrrolidin-1-yl]butanoic acid Openeye Name: 4-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-(3-methylpyrrolidin-1-yl)-2-[2-(oxomethylene)pyrrolidin-1-yl]butanoic acid CAS Name: 4-(6-carbamimidoyl-1-ethyl-2-indolyl)-2-(3-methyl-1-pyrrolidinyl)-2-[2-(oxomethylidene)-1-pyrrolidinyl]butanoic acid IUPAC Name: 4-(6-carbamimidoyl-1-ethylindol-2-yl)-2-(3-methylpyrrolidin-1-yl)-2-[2-(oxomethylidene)pyrrolidin-1-yl]butanoic acid Traditional Name: 4-(6-amidino-1-ethyl-indol-2-yl)-2-[2-(ketomethylene)pyrrolidino]-2-(3-methylpyrrolidino)butyric acid Formula: C25H33N5O3 MolecularWeight: 451.56122

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC(C(=O)O)(N3CCC(C3)C)N4CCCC4=C=O

Isomeric SMILES

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC(C(=O)O)(N3CCC(C3)C)N4CCCC4=C=O

InChI

InChI=1S/C25H33N5O3/c1-3-29-20(13-18-6-7-19(23(26)27)14-22(18)29)8-10-25(24(32)33,28-12-9-17(2)15-28)30-11-4-5-21(30)16-31/h6-7,13-14,17H,3-5,8-12,15H2,1-2H3,(H3,26,27)(H,32,33)