Basic information
- Standard SMILES
C=CCOC(=O)C1=C(S[C@H]2C[C@@H](CC3CCNC3=O)N(C(=O)OCC=C)C2)C[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12- InChIKey
RUEKOZBONXNSCG-WZEBAQTJSA-N- Molecular formula
- C25H33N3O7S
- Average molar mass
- 519.6 g/mol
Names & identifiers
- Preferred name
- allyl (5R,6S)-2-[(2R,4S)-N-allyloxycarbonyl-2-(2-pyrrolidon-3-ylmethyl)pyrrolidin-4-ylthio]-6-[(R)-1-hydroxyethyl]-1-carbapen-2-em-3-carboxylate
- IUPAC
- prop-2-enyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(3S,5R)-5-[(2-oxopyrrolidin-3-yl)methyl]-1-prop-2-enoxycarbonylpyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
Names & synonyms
RUEKOZBONXNSCG-WZEBAQTJSA-Nallyl (5R,6S)-2-[(2R,4S)-N-allyloxycarbonyl-2-(2-pyrrolidon-3-ylmethyl)pyrrolidin-4-ylthio]-6-[(R)-1-hydroxyethyl]-1-carbapen-2-em-3-carboxylate
Database identifiers
- PubChem CID
- 57230292
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 983
Related reactions
2 records
Compound notes
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