4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonyl-pentyl-amino]butanoic acid

Systemtic Name: 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonyl-pentyl-amino]butanoic acid Openeye Name: 4-[[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]-pentyl-amino]butanoic acid CAS Name: 4-[[[1-(4-carbamimidoylphenyl)-4-piperidinyl]-oxomethyl]-pentylamino]butanoic acid IUPAC Name: 4-[[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]-pentylamino]butanoic acid Traditional Name: 4-[[1-(4-amidinophenyl)isonipecotoyl]-amyl-amino]butyric acid Formula: C22H34N4O3 MolecularWeight: 402.53036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCC(=O)O)C(=O)C1CCN(CC1)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCCCCN(CCCC(=O)O)C(=O)C1CCN(CC1)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C22H34N4O3/c1-2-3-4-13-26(14-5-6-20(27)28)22(29)18-11-15-25(16-12-18)19-9-7-17(8-10-19)21(23)24/h7-10,18H,2-6,11-16H2,1H3,(H3,23,24)(H,27,28)