(1R)-1-({[(1R,3S,4S)-3-methoxy-4-(nitrooxy)cyclopentyl]carbonyl}oxy)ethyl N-pentanoyl-N-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-L-valinate
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)[C@H](C(=O)O[C@H](C)OC(=O)[C@@H]1C[C@H](OC)[C@@H](O[N+](=O)[O-])C1)C(C)C- InChIKey
KRSPEJFPAYKMRN-MJJRSLGDSA-N- Molecular formula
- C33H42N6O9
- Average molar mass
- 666.7 g/mol
- Monoisotopic mass
- 666.30132694
Names & identifiers
- Preferred name
- (1R)-1-({[(1R,3S,4S)-3-methoxy-4-(nitrooxy)cyclopentyl]carbonyl}oxy)ethyl N-pentanoyl-N-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-L-valinate
- IUPAC
- [(1R)-1-[(2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoyl]oxyethyl] (1R,3S,4S)-3-methoxy-4-nitrooxycyclopentane-1-carboxylate
Names & synonyms
SCHEMBL3446957KRSPEJFPAYKMRN-MJJRSLGDSA-N(1R)-1-({[(1R,3S,4S)-3-methoxy-4-(nitrooxy)cyclopentyl]carbonyl}oxy)ethyl N-pentanoyl-N-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-L-valinate
Database identifiers
- PubChem CID
- 59364080
Properties
Computed structural propertiesFilling in
- XLogP
- 5.8
- Topological polar surface area
- 192 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 17
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,070
Related reactions
1 records
Compound notes
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