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

Systemtic Name: 4-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-[2-(oxidanylidenemethylidene)piperidin-1-yl]-2-pyrrolidin-1-yl-butanoic acid Openeye Name: 4-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-[2-(oxomethylene)-1-piperidyl]-2-pyrrolidin-1-yl-butanoic acid CAS Name: 4-(6-carbamimidoyl-1-ethyl-2-indolyl)-2-[2-(oxomethylidene)-1-piperidinyl]-2-(1-pyrrolidinyl)butanoic acid IUPAC Name: 4-(6-carbamimidoyl-1-ethylindol-2-yl)-2-[2-(oxomethylidene)piperidin-1-yl]-2-pyrrolidin-1-ylbutanoic acid Traditional Name: 4-(6-amidino-1-ethyl-indol-2-yl)-2-[2-(ketomethylene)piperidino]-2-pyrrolidino-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)(N3CCCC3)N4CCCCC4=C=O

Isomeric SMILES

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC(C(=O)O)(N3CCCC3)N4CCCCC4=C=O

InChI

InChI=1S/C25H33N5O3/c1-2-29-20(15-18-8-9-19(23(26)27)16-22(18)29)10-11-25(24(32)33,28-12-5-6-13-28)30-14-4-3-7-21(30)17-31/h8-9,15-16H,2-7,10-14H2,1H3,(H3,26,27)(H,32,33)