5-(6-carbamimidoyl-1-ethyl-indol-2-yl)-3-(hydroxymethyl)-2-[2-(oxidanylidenemethylidene)pyrrolidin-1-yl]-2-pyrrolidin-1-yl-pentanoic acid

Systemtic Name: 5-(6-carbamimidoyl-1-ethyl-indol-2-yl)-3-(hydroxymethyl)-2-[2-(oxidanylidenemethylidene)pyrrolidin-1-yl]-2-pyrrolidin-1-yl-pentanoic acid Openeye Name: 5-(6-carbamimidoyl-1-ethyl-indol-2-yl)-3-(hydroxymethyl)-2-[2-(oxomethylene)pyrrolidin-1-yl]-2-pyrrolidin-1-yl-pentanoic acid CAS Name: 5-(6-carbamimidoyl-1-ethyl-2-indolyl)-3-(hydroxymethyl)-2-[2-(oxomethylidene)-1-pyrrolidinyl]-2-(1-pyrrolidinyl)pentanoic acid IUPAC Name: 5-(6-carbamimidoyl-1-ethylindol-2-yl)-3-(hydroxymethyl)-2-[2-(oxomethylidene)pyrrolidin-1-yl]-2-pyrrolidin-1-ylpentanoic acid Traditional Name: 5-(6-amidino-1-ethyl-indol-2-yl)-2-[2-(ketomethylene)pyrrolidino]-3-methylol-2-pyrrolidino-valeric acid Formula: C26H35N5O4 MolecularWeight: 481.5872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N5O4/c1-2-30-21(14-18-7-8-19(24(27)28)15-23(18)30)10-9-20(16-32)26(25(34)35,29-11-3-4-12-29)31-13-5-6-22(31)17-33/h7-8,14-15,20,32H,2-6,9-13,16H2,1H3,(H3,27,28)(H,34,35)