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

Systemtic Name: 3-[2-(6-carbamimidoyl-1-ethyl-indol-2-yl)ethyl]-2-[2-(oxidanylidenemethylidene)pyrrolidin-1-yl]-2-pyrrolidin-1-yl-butanedioic acid Openeye Name: 3-[2-(6-carbamimidoyl-1-ethyl-indol-2-yl)ethyl]-2-[2-(oxomethylene)pyrrolidin-1-yl]-2-pyrrolidin-1-yl-butanedioic acid CAS Name: 3-[2-(6-carbamimidoyl-1-ethyl-2-indolyl)ethyl]-2-[2-(oxomethylidene)-1-pyrrolidinyl]-2-(1-pyrrolidinyl)butanedioic acid IUPAC Name: 3-[2-(6-carbamimidoyl-1-ethylindol-2-yl)ethyl]-2-[2-(oxomethylidene)pyrrolidin-1-yl]-2-pyrrolidin-1-ylbutanedioic acid Traditional Name: 3-[2-(6-amidino-1-ethyl-indol-2-yl)ethyl]-2-[2-(ketomethylene)pyrrolidino]-2-pyrrolidino-succinic acid Formula: C26H33N5O5 MolecularWeight: 495.57072

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC(C(=O)O)C(C(=O)O)(N3CCCC3)N4CCCC4=C=O

Isomeric SMILES

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC(C(=O)O)C(C(=O)O)(N3CCCC3)N4CCCC4=C=O

InChI

InChI=1S/C26H33N5O5/c1-2-30-19(14-17-7-8-18(23(27)28)15-22(17)30)9-10-21(24(33)34)26(25(35)36,29-11-3-4-12-29)31-13-5-6-20(31)16-32/h7-8,14-15,21H,2-6,9-13H2,1H3,(H3,27,28)(H,33,34)(H,35,36)