Basic information
- Standard SMILES
C=CCON(C1CN(C(=O)OC(C)(C)C)[C@H](C(=O)O)C=C1CC(N)=O)S(=O)(=O)c1ccccc1[N+](=O)[O-]- InChIKey
PWGUQNXDPIQABT-BHWOMJMDSA-N- Molecular formula
- C22H28N4O10S
- Average molar mass
- 540.5 g/mol
Names & identifiers
- Preferred name
- (2S)-5-(N-(allyloxy)-2-nitrophenylsulfonamido)-4-(2-amino-2-oxoethyl)-1-(tert-butoxycarbonyl)-1,2,5,6-tetrahydropyridine-2-carboxylic acid
- IUPAC
- (6S)-4-(2-amino-2-oxoethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(2-nitrophenyl)sulfonyl-prop-2-enoxyamino]-3,6-dihydro-2H-pyridine-6-carboxylic acid
Names & synonyms
SCHEMBL15319522PWGUQNXDPIQABT-BHWOMJMDSA-N(2S)-5-(N-(allyloxy)-2-nitrophenylsulfonamido)-4-(2-amino-2-oxoethyl)-1-(tert-butoxycarbonyl)-1,2,5,6-tetrahydropyridine-2-carboxylic acid
Database identifiers
- PubChem CID
- 89851815
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 211 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 11
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,040
Related reactions
2 records
Compound notes
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