CHEMICAL AND PHYSICAL PROPERTIES
| LogP | 3.9 |
|---|---|
| Caco2 Permeability | -6.13 |
COMPUTED DESCRIPTORS
| Molecular Weight | 630.8 g/mol |
|---|---|
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 16 |
| Exact Mass | 630.34510650 g/mol |
| Monoisotopic Mass | 630.34510650 g/mol |
| Topological Polar Surface Area | 170 Ų |
| Heavy Atom Count | 44 |
| Formal Charge | 0 |
| Complexity | 1030 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Remikiren is an L-histidine derivative that is L-histidine in which one of the amino hydrogens is replaced by a (2S)-2-[(2-methylpropane-2-sulfonyl)methyl]-3-phenylpropanoyl group and the carboxy group is replaced by a [(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino group. It is a renin inhibitor which was under development for the treatment of hypertension (now discontinued). It has a role as an antihypertensive agent, a vasodilator agent, a peptidomimetic and an EC 3.4.23.15 (renin) inhibitor. It is a sulfone, a diol, a secondary carboxamide, a member of cyclopropanes and a L-histidine derivative.