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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC3CCCN3C(=O)CN4CCCCC4C(=O)O

Isomeric SMILES

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC3CCCN3C(=O)CN4CCCCC4C(=O)O

InChI

InChI=1S/C25H35N5O3/c1-2-29-20(14-17-8-9-18(24(26)27)15-22(17)29)11-10-19-6-5-13-30(19)23(31)16-28-12-4-3-7-21(28)25(32)33/h8-9,14-15,19,21H,2-7,10-13,16H2,1H3,(H3,26,27)(H,32,33)