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

Systemtic Name: 2-[2-[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propyl]piperidin-1-yl]propanoic acid Openeye Name: 2-[2-[3-(4-carbamimidoylanilino)-3-oxo-propyl]-1-piperidyl]propanoic acid CAS Name: 2-[2-[3-(4-carbamimidoylanilino)-3-oxopropyl]-1-piperidinyl]propanoic acid IUPAC Name: 2-[2-[3-(4-carbamimidoylanilino)-3-oxopropyl]piperidin-1-yl]propanoic acid Traditional Name: 2-[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:

CC(C(=O)O)N1CCCCC1CCC(=O)NC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC(C(=O)O)N1CCCCC1CCC(=O)NC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C18H26N4O3/c1-12(18(24)25)22-11-3-2-4-15(22)9-10-16(23)21-14-7-5-13(6-8-14)17(19)20/h5-8,12,15H,2-4,9-11H2,1H3,(H3,19,20)(H,21,23)(H,24,25)