Basic information
- CAS
301844-50-8- Standard SMILES
C[C@@]1(N)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O- InChIKey
YHMWLYYXMIFGNR-CLROSIBMSA-N- Molecular formula
- C17H21N3O4
- Average molar mass
- 331.4 g/mol
- Monoisotopic mass
- 331.15320616
Names & identifiers
- Preferred name
- 2-Amino-5-benzyl-10b-hydroxy-2-methyltetrahydro-2H-oxazolo(3,2-a)pyrrolo(2,1-C)pyrazine-3,6(5H,10bh)-dione, (2R,5S,10aS,10bS)-
- IUPAC
- (1S,2S,4R,7S)-4-amino-7-benzyl-2-hydroxy-4-methyl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecane-5,8-dione
Names & synonyms
GY6IW0HGC7301844-50-8(2R,5S,10aS,10bS)-2-Amino-5-benzyl-10b-hydroxy-2-methyltetrahydro-2H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine-3,6(5H,10bH)-dione2-Amino-5-benzyl-10b-hydroxy-2-methyltetrahydro-2H-oxazolo(3,2-a)pyrrolo(2,1-C)pyrazine-3,6(5H,10bh)-dione, (2R,5S,10aS,10bS)-8H-Oxazolo(3,2-a)pyrrolo(2,1-C)pyrazine-3,6(2H,5H)-dione, 2-aminotetrahydro-10b-hydroxy-2-methyl-5-(phenylmethyl)-, (2R,5S,10aS,10bS)-UNII-GY6IW0HGC7
Database identifiers
- CAS
301844-50-8- PubChem CID
- 40498
- UNII
- GY6IW0HGC7
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 96.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 564
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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