5-(4-hydroxyphenyl)-3-oxidanylidene-2-piperidin-4-yloxy-4-[[4-(N'-propylcarbamimidoyl)phenyl]carbonylamino]pentanoic acid

Systemtic Name: 5-(4-hydroxyphenyl)-3-oxidanylidene-2-piperidin-4-yloxy-4-[[4-(N'-propylcarbamimidoyl)phenyl]carbonylamino]pentanoic acid Openeye Name: 5-(4-hydroxyphenyl)-3-oxo-2-(4-piperidyloxy)-4-[[4-(N'-propylcarbamimidoyl)benzoyl]amino]pentanoic acid CAS Name: 4-[[[4-[amino(propylimino)methyl]phenyl]-oxomethyl]amino]-5-(4-hydroxyphenyl)-3-oxo-2-(4-piperidinyloxy)pentanoic acid IUPAC Name: 5-(4-hydroxyphenyl)-3-oxo-2-piperidin-4-yloxy-4-[[4-(N'-propylcarbamimidoyl)benzoyl]amino]pentanoic acid Traditional Name: 5-(4-hydroxyphenyl)-3-keto-2-(4-piperidyloxy)-4-[[4-(N'-propylamidino)benzoyl]amino]valeric acid Formula: C27H34N4O6 MolecularWeight: 510.58206

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Descriptors Computed from Structure

Canonical SMILES:

CCCN=C(C1=CC=C(C=C1)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)C(C(=O)O)OC3CCNCC3)N

Isomeric SMILES

CCCN=C(C1=CC=C(C=C1)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)C(C(=O)O)OC3CCNCC3)N

InChI

InChI=1S/C27H34N4O6/c1-2-13-30-25(28)18-5-7-19(8-6-18)26(34)31-22(16-17-3-9-20(32)10-4-17)23(33)24(27(35)36)37-21-11-14-29-15-12-21/h3-10,21-22,24,29,32H,2,11-16H2,1H3,(H2,28,30)(H,31,34)(H,35,36)