4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonyl-(3-phenylpropyl)amino]butanoic acid

Systemtic Name: 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonyl-(3-phenylpropyl)amino]butanoic acid Openeye Name: 4-[[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]-(3-phenylpropyl)amino]butanoic acid CAS Name: 4-[[[1-(4-carbamimidoylphenyl)-4-piperidinyl]-oxomethyl]-(3-phenylpropyl)amino]butanoic acid IUPAC Name: 4-[[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]-(3-phenylpropyl)amino]butanoic acid Traditional Name: 4-[[1-(4-amidinophenyl)isonipecotoyl]-(3-phenylpropyl)amino]butyric acid Formula: C26H34N4O3 MolecularWeight: 450.57316

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N(CCCC2=CC=CC=C2)CCCC(=O)O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(CCC1C(=O)N(CCCC2=CC=CC=C2)CCCC(=O)O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C26H34N4O3/c27-25(28)21-10-12-23(13-11-21)29-18-14-22(15-19-29)26(33)30(17-5-9-24(31)32)16-4-8-20-6-2-1-3-7-20/h1-3,6-7,10-13,22H,4-5,8-9,14-19H2,(H3,27,28)(H,31,32)