3-[2-(6-carbamimidoyl-1-ethyl-indol-2-yl)ethyl]-1-(2-oxidanylideneethyl)-2-pyrrolidin-1-yl-piperidine-2-carboxylic acid

Systemtic Name: 3-[2-(6-carbamimidoyl-1-ethyl-indol-2-yl)ethyl]-1-(2-oxidanylideneethyl)-2-pyrrolidin-1-yl-piperidine-2-carboxylic acid Openeye Name: 3-[2-(6-carbamimidoyl-1-ethyl-indol-2-yl)ethyl]-1-(2-oxoethyl)-2-pyrrolidin-1-yl-piperidine-2-carboxylic acid CAS Name: 3-[2-(6-carbamimidoyl-1-ethyl-2-indolyl)ethyl]-1-(2-oxoethyl)-2-(1-pyrrolidinyl)-2-piperidinecarboxylic acid IUPAC Name: 3-[2-(6-carbamimidoyl-1-ethylindol-2-yl)ethyl]-1-(2-oxoethyl)-2-pyrrolidin-1-ylpiperidine-2-carboxylic acid Traditional Name: 3-[2-(6-amidino-1-ethyl-indol-2-yl)ethyl]-1-(2-ketoethyl)-2-pyrrolidino-pipecolinic acid Formula: C25H35N5O3 MolecularWeight: 453.5771

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC3CCCN(C3(C(=O)O)N4CCCC4)CC=O

Isomeric SMILES

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC3CCCN(C3(C(=O)O)N4CCCC4)CC=O

InChI

InChI=1S/C25H35N5O3/c1-2-30-21(16-18-7-8-19(23(26)27)17-22(18)30)10-9-20-6-5-13-29(14-15-31)25(20,24(32)33)28-11-3-4-12-28/h7-8,15-17,20H,2-6,9-14H2,1H3,(H3,26,27)(H,32,33)