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

Systemtic Name: 3-[2-[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propyl]piperidin-1-yl]propanoic acid Openeye Name: 3-[2-[3-(4-carbamimidoylanilino)-3-oxo-propyl]-1-piperidyl]propanoic acid CAS Name: 3-[2-[3-(4-carbamimidoylanilino)-3-oxopropyl]-1-piperidinyl]propanoic acid IUPAC Name: 3-[2-[3-(4-carbamimidoylanilino)-3-oxopropyl]piperidin-1-yl]propanoic acid Traditional Name: 3-[2-[3-(4-amidinoanilino)-3-keto-propyl]piperidino]propionic acid Formula: C18H26N4O3 MolecularWeight: 346.42404

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CCC(=O)NC2=CC=C(C=C2)C(=N)N)CCC(=O)O

Isomeric SMILES

C1CCN(C(C1)CCC(=O)NC2=CC=C(C=C2)C(=N)N)CCC(=O)O

InChI

InChI=1S/C18H26N4O3/c19-18(20)13-4-6-14(7-5-13)21-16(23)9-8-15-3-1-2-11-22(15)12-10-17(24)25/h4-7,15H,1-3,8-12H2,(H3,19,20)(H,21,23)(H,24,25)