2-[4-[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propyl]piperidin-1-yl]-2-pyridin-3-yl-ethanoic acid

Systemtic Name: 2-[4-[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propyl]piperidin-1-yl]-2-pyridin-3-yl-ethanoic acid Openeye Name: 2-[4-[3-(4-carbamimidoylanilino)-3-oxo-propyl]-1-piperidyl]-2-(3-pyridyl)acetic acid CAS Name: 2-[4-[3-(4-carbamimidoylanilino)-3-oxopropyl]-1-piperidinyl]-2-(3-pyridinyl)acetic acid IUPAC Name: 2-[4-[3-(4-carbamimidoylanilino)-3-oxopropyl]piperidin-1-yl]-2-pyridin-3-ylacetic acid Traditional Name: 2-[4-[3-(4-amidinoanilino)-3-keto-propyl]piperidino]-2-(3-pyridyl)acetic acid Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCC(=O)NC2=CC=C(C=C2)C(=N)N)C(C3=CN=CC=C3)C(=O)O

Isomeric SMILES

C1CN(CCC1CCC(=O)NC2=CC=C(C=C2)C(=N)N)C(C3=CN=CC=C3)C(=O)O

InChI

InChI=1S/C22H27N5O3/c23-21(24)16-4-6-18(7-5-16)26-19(28)8-3-15-9-12-27(13-10-15)20(22(29)30)17-2-1-11-25-14-17/h1-2,4-7,11,14-15,20H,3,8-10,12-13H2,(H3,23,24)(H,26,28)(H,29,30)