Basic information
- Standard SMILES
C=CCCN(CC[C@H](NC(=O)OC(C)(C)C)C(=O)O)S(=O)(=O)c1ccccc1[N+](=O)[O-]- InChIKey
NGKOOEVMJFZDJW-AWEZNQCLSA-N- Molecular formula
- C19H27N3O8S
- Average molar mass
- 457.5 g/mol
Names & identifiers
- Preferred name
- (S)-4-(N-(but-3-enyl)-2-nitrophenylsulfonamido)-2-(tert-butoxycarbonylamino)-butanoic acid
- IUPAC
- (2S)-4-[but-3-enyl-(2-nitrophenyl)sulfonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Names & synonyms
SCHEMBL1052024NGKOOEVMJFZDJW-AWEZNQCLSA-N(S)-4-(N-(but-3-enyl)-2-nitrophenylsulfonamido)-2-(tert-butoxycarbonylamino)-butanoic acid
Database identifiers
- PubChem CID
- 59554189
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 167 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 752
Related reactions
1 records
Compound notes
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