Basic information
- Standard SMILES
COC(=O)/C(=C/c1cc(-c2ccccc2)cnc1NC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1- InChIKey
VBDYTJZYIWVMEV-KQWNVCNZSA-N- Molecular formula
- C28H29N3O6
- Average molar mass
- 503.5 g/mol
Names & identifiers
- Preferred name
- (Z)-Methyl 2-(benzyloxycarbonylamino)-3-(2-(tert-butoxycarbonyl amino)-5-phenylpyridin-3-yl)acrylate
- IUPAC
- methyl (Z)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenyl-3-pyridinyl]-2-(phenylmethoxycarbonylamino)prop-2-enoate
Names & synonyms
SCHEMBL14183135VBDYTJZYIWVMEV-KQWNVCNZSA-N(Z)-Methyl 2-(benzyloxycarbonylamino)-3-(2-(tert-butoxycarbonyl amino)-5-phenylpyridin-3-yl)acrylate
Database identifiers
- PubChem CID
- 58671540
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 796
Related reactions
2 records
Compound notes
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