Basic information
- CAS
186319-97-1- Standard SMILES
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H]([C@H](O)[C@@H]4CCNC4)C3)[C@H](C)[C@H]12.Cl- InChIKey
WRVJTXDJDKITNK-XNGFCKKMSA-N- Molecular formula
- C19H30ClN3O5S
- Average molar mass
- 448 g/mol
- Monoisotopic mass
- 447.15946974
Names & identifiers
- Preferred name
- ER-35786
- IUPAC
- (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-3-[(3S,5S)-5-[(R)-hydroxy-[(3R)-pyrrolidin-3-yl]methyl]pyrrolidin-3-yl]sulfanyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;hydrochloride
Names & synonyms
ER-35786Er 35786RefChem:921085E-1010186319-97-1UNII-OB4VR2PM24OB4VR2PM241-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-((1R)-1-hydroxyethyl)-3-(((3S,5S)-5-((R)-hydroxy(3R)-3-pyrrolidinylmethyl)-3-pyrrolidinyl)thio)-4-methyl-7-oxo-, hydrochloride (1:1), (4R,5S,6S)-E1010SCHEMBL3057639DTXSID70171877WRVJTXDJDKITNK-XNGFCKKMSA-N
Show more names
(4R,5S,6S)-6-[(1R)-1-Hydroxyethyl]-3-[(3S,5S)-5-[(R)-hydroxy-[(3R)-pyrrolidin-3-yl]methyl]pyrrolidin-3-yl]sulfanyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;hydrochlorideQ27285547(+)-E-1010(4R,5S,6S)-6-[(1R)-1-Hydroxyethyl]-3-{[(3S,5S)-5-{(R)-hydroxy[(3R)-pyrrolidin-3-yl]methyl}pyrrolidin-3-yl]sulfanyl}-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid--hydrogen chloride (1/1)
Database identifiers
- CAS
186319-97-1- PubChem CID
- 6918311
- DTXSID
DTXSID70171877- UNII
- OB4VR2PM24
Properties
Computed structural properties
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 701
Related reactions
1 records
Compound notes
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