Basic information
- CAS
120729-15-9- Standard SMILES
CC(C)CC(NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCOCC1)C(=O)NC(CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C- InChIKey
ARNZFWZVMWZHAI-VTMJAYRDSA-N- Molecular formula
- C34H55N3O7
- Average molar mass
- 617.8 g/mol
- Monoisotopic mass
- 617.4040011
Overview
structure given in first source; RN given refers to (1S-(1R*(R*(R*)),2S*,3R*))-isomer; RN for cpd without isomeric designation not available 11/92
Names & identifiers
- Preferred name
- SC 46944
- IUPAC
- [(2S)-1-[[1-[[(3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl] morpholine-4-carboxylate
- English name
- SC 46944
- Molecular formula
- C35H56N4O8
- Molecular weight
- 660.847
Names & synonyms
SC 46944120729-15-9SC-46944RefChem:181620[(2S)-1-[[1-[[(3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl] morpholine-4-carboxylate4-Morpholinecarboxylic acid, 2-((1-(((1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl)amino)carbonyl)-3-methylbutyl)amino)-2-oxo-1-(phenylmethyl)ethyl ester, (1S-(1R*(R*(R*)),2S*,3R*))-DTXSID40923547(2S)-1-((1-(((3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-1-oxo-3-phenylpropan-2-yl morpholine-4-carboxylateN-(1-Cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl)-2-({1-hydroxy-2-[(morpholine-4-carbonyl)oxy]-3-phenylpropylidene}amino)-4-methylpentanimidic acidN-[(3R,4S)-1-Cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-2-({(2S)-1-hydroxy-2-[(morpholine-4-carbonyl)oxy]-3-phenylpropylidene}amino)-4-methylpentanimidic acid
Database identifiers
- CAS
120729-15-9- PubChem CID
- 129249
- DTXSID
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 16
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 867
Chemistry & industry
Applications
DescriptionSC 46944 is a highly potent human renin inhibitor.
UsesSC-46944 is an orally active renin inhibitor and can be used for study of hypertension[1].
Suppliers2 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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