4-[[4-(4-carbamimidoylphenyl)piperidin-1-yl]carbonyl-(2-morpholin-4-yl-2-oxidanylidene-ethyl)amino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[4-(4-carbamimidoylphenyl)piperidin-1-yl]carbonyl-(2-morpholin-4-yl-2-oxidanylidene-ethyl)amino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[4-(4-carbamimidoylphenyl)piperidine-1-carbonyl]-(2-morpholino-2-oxo-ethyl)amino]cyclohexanecarboxylic acid CAS Name: 4-[[[4-(4-carbamimidoylphenyl)-1-piperidinyl]-oxomethyl]-[2-(4-morpholinyl)-2-oxoethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[4-(4-carbamimidoylphenyl)piperidine-1-carbonyl]-(2-morpholin-4-yl-2-oxoethyl)amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[4-(4-amidinophenyl)piperidine-1-carbonyl]-(2-keto-2-morpholino-ethyl)amino]cyclohexanecarboxylic acid Formula: C26H37N5O5 MolecularWeight: 499.60248

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)O)N(CC(=O)N2CCOCC2)C(=O)N3CCC(CC3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1CC(CCC1C(=O)O)N(CC(=O)N2CCOCC2)C(=O)N3CCC(CC3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C26H37N5O5/c27-24(28)20-3-1-18(2-4-20)19-9-11-30(12-10-19)26(35)31(17-23(32)29-13-15-36-16-14-29)22-7-5-21(6-8-22)25(33)34/h1-4,19,21-22H,5-17H2,(H3,27,28)(H,33,34)