2-[2-[2-[2-(6-carbamimidoyl-1-ethyl-indol-2-yl)ethyl]pyrrolidin-1-yl]carbonylpiperidin-1-yl]ethanoic acid

Systemtic Name: 2-[2-[2-[2-(6-carbamimidoyl-1-ethyl-indol-2-yl)ethyl]pyrrolidin-1-yl]carbonylpiperidin-1-yl]ethanoic acid Openeye Name: 2-[2-[2-[2-(6-carbamimidoyl-1-ethyl-indol-2-yl)ethyl]pyrrolidine-1-carbonyl]-1-piperidyl]acetic acid CAS Name: 2-[2-[[2-[2-(6-carbamimidoyl-1-ethyl-2-indolyl)ethyl]-1-pyrrolidinyl]-oxomethyl]-1-piperidinyl]acetic acid IUPAC Name: 2-[2-[2-[2-(6-carbamimidoyl-1-ethylindol-2-yl)ethyl]pyrrolidine-1-carbonyl]piperidin-1-yl]acetic acid Traditional Name: 2-[2-[2-[2-(6-amidino-1-ethyl-indol-2-yl)ethyl]pyrrolidine-1-carbonyl]piperidino]acetic 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)CCC3CCCN3C(=O)C4CCCCN4CC(=O)O

Isomeric SMILES

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC3CCCN3C(=O)C4CCCCN4CC(=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)25(33)21-7-3-4-12-28(21)16-23(31)32/h8-9,14-15,19,21H,2-7,10-13,16H2,1H3,(H3,26,27)(H,31,32)