Basic information
- Standard SMILES
C=CCOC(=O)N1CC[C@@H](C(=O)Nc2ncc(OC)cn2)N1C(=O)[C@H](CC1CCCC1)CN(C=O)OC1CCCCO1- InChIKey
KKUKIBFTWCBHHP-RZVHPXSESA-N- Molecular formula
- C28H40N6O8
- Average molar mass
- 588.7 g/mol
Names & identifiers
- Preferred name
- 2-propen-1-yl (3S)-2-((2R)-3-cyclopentyl-2-{[formyl(tetrahydro-2H-pyran-2-yloxy)amino]methyl}propanoyl)-3-({[5-(methyloxy)-2-pyrimidinyl]amino}carbonyl)-1-pyrazolidinecarboxylate
- IUPAC
- prop-2-enyl (3S)-2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(oxan-2-yloxy)amino]propanoyl]-3-[(5-methoxypyrimidin-2-yl)carbamoyl]pyrazolidine-1-carboxylate
Names & synonyms
KKUKIBFTWCBHHP-RZVHPXSESA-N2-propen-1-yl (3S)-2-((2R)-3-cyclopentyl-2-{[formyl(tetrahydro-2H-pyran-2-yloxy)amino]methyl}propanoyl)-3-({[5-(methyloxy)-2-pyrimidinyl]amino}carbonyl)-1-pyrazolidinecarboxylate
Database identifiers
- PubChem CID
- 86706366
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 13
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 926
Related reactions
1 records
Compound notes
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