Basic information
- Standard SMILES
C=CCCN(CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@]1(C(=O)OCC)C[C@H]1C=C)S(=O)(=O)c1ccccc1[N+](=O)[O-]- InChIKey
KOLVNYCKDMIRMD-TYUGYEMXSA-N- Molecular formula
- C32H45N5O11S
- Average molar mass
- 707.8 g/mol
Names & identifiers
- Preferred name
- (1R,2S)-ethyl 1-((2S,4R)-1-((S)-4-(N-(but-3-enyl)-2-nitrophenylsulfonamido)-2-(tert-butoxycarbonylamino)butanoyl)-4-hydroxypyrrolidine-2-carboxamido)-2-vinylcyclopropanecarboxylate
- IUPAC
- trans-ethyl (1R,2S)-1-[[(2S,4R)-1-[(2S)-4-[but-3-enyl-(2-nitrophenyl)sulfonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropane-1-carboxylate
Names & synonyms
SCHEMBL11984035KOLVNYCKDMIRMD-TYUGYEMXSA-N(1R,2S)-ethyl 1-((2S,4R)-1-((S)-4-(N-(but-3-enyl)-2-nitrophenylsulfonamido)-2-(tert-butoxycarbonylamino)butanoyl)-4-hydroxypyrrolidine-2-carboxamido)-2-vinylcyclopropanecarboxylate
Database identifiers
- PubChem CID
- 59554237
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 226 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 18
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,370
Related reactions
2 records
Compound notes
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