Basic information
- Standard SMILES
COC(=O)c1cc(N2CC[C@H](NC(=O)OCc3ccccc3)[C@H](OC)C2)ccc1N- InChIKey
UTXNNCUZRHOALY-VQTJNVASSA-N- Molecular formula
- C22H27N3O5
- Average molar mass
- 413.5 g/mol
Names & identifiers
- Preferred name
- Methyl cis(+/-)-2-amino-5-(4-{[(benzyloxy)carbonyl]amino}-3-methoxypiperidin-1-yl)benzoate
- IUPAC
- methyl 2-amino-5-[(3R,4S)-3-methoxy-4-(phenylmethoxycarbonylamino)piperidin-1-yl]benzoate
Names & synonyms
UTXNNCUZRHOALY-VQTJNVASSA-NMethyl cis(+/-)-2-amino-5-(4-{[(benzyloxy)carbonyl]amino}-3-methoxypiperidin-1-yl)benzoate
Database identifiers
- PubChem CID
- 86648749
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 569
Related reactions
2 records
Compound notes
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