4-[[4-(4-carbamimidoylphenyl)-1,3-thiazol-2-yl]-[1-(carboxymethyl)piperidin-4-yl]amino]butanoic acid

Systemtic Name: 4-[[4-(4-carbamimidoylphenyl)-1,3-thiazol-2-yl]-[1-(carboxymethyl)piperidin-4-yl]amino]butanoic acid Openeye Name: 4-[[4-(4-carbamimidoylphenyl)thiazol-2-yl]-[1-(carboxymethyl)-4-piperidyl]amino]butanoic acid CAS Name: 4-[[4-(4-carbamimidoylphenyl)-2-thiazolyl]-[1-(carboxymethyl)-4-piperidinyl]amino]butanoic acid IUPAC Name: 4-[[4-(4-carbamimidoylphenyl)-1,3-thiazol-2-yl]-[1-(carboxymethyl)piperidin-4-yl]amino]butanoic acid Traditional Name: 4-[[4-(4-amidinophenyl)thiazol-2-yl]-[1-(carboxymethyl)-4-piperidyl]amino]butyric acid Formula: C21H27N5O4S MolecularWeight: 445.53518

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N(CCCC(=O)O)C2=NC(=CS2)C3=CC=C(C=C3)C(=N)N)CC(=O)O

Isomeric SMILES

C1CN(CCC1N(CCCC(=O)O)C2=NC(=CS2)C3=CC=C(C=C3)C(=N)N)CC(=O)O

InChI

InChI=1S/C21H27N5O4S/c22-20(23)15-5-3-14(4-6-15)17-13-31-21(24-17)26(9-1-2-18(27)28)16-7-10-25(11-8-16)12-19(29)30/h3-6,13,16H,1-2,7-12H2,(H3,22,23)(H,27,28)(H,29,30)