Basic information
- Standard SMILES
C=CCCOC(=O)[C@@H]1CCCN(C(=O)[C@H](Cc2cccc(O[Si](C)(C)C(C)(C)C)c2)NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)OC(C)(C)C)N1- InChIKey
HJYTYOGMPNYSIB-ZDCRTTOTSA-N- Molecular formula
- C39H58N4O8Si
- Average molar mass
- 739 g/mol
- Monoisotopic mass
- 738.40239136
Names & identifiers
- Preferred name
- (S)-1-{(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(4-methoxy-phenyl)-propionylamino]-3-[3-(tert-butyl-dimethyl-silanyloxy)-phenyl]-propionyl}-hexahydro-pyridazine-3-carboxylic acid but-3-enyl ester
- IUPAC
- but-3-enyl (3S)-1-[(2S)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-[[(2S)-3-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]diazinane-3-carboxylate
Names & synonyms
SCHEMBL14635175HJYTYOGMPNYSIB-ZDCRTTOTSA-N(S)-1-{(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(4-methoxy-phenyl)-propionylamino]-3-[3-(tert-butyl-dimethyl-silanyloxy)-phenyl]-propionyl}-hexahydro-pyridazine-3-carboxylic acid but-3-enyl ester
Database identifiers
- PubChem CID
- 86675868
Properties
Computed structural properties
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 19
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,190
Related reactions
3 records
Compound notes
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