(2S)-4-(methylthio)-2-[[[[(2S)-4-(methylthio)-1-(4-nitrophenoxy)-1-oxobutan-2-yl]amino]-oxomethyl]amino]butanoic acid (4-nitrophenyl) ester
Basic information
- CAS
53751-62-5- Standard SMILES
CSCCC(NC(=O)NC(CCSC)C(=O)Oc1ccc([N+](=O)[O-])cc1)C(=O)Oc1ccc([N+](=O)[O-])cc1- InChIKey
UAMQNDYCCRCTJH-UHFFFAOYSA-N- Molecular formula
- C23H26N4O9S2
- Average molar mass
- 566.6 g/mol
- Monoisotopic mass
- 566.11412077
Names & identifiers
- Preferred name
- (2S)-4-(methylthio)-2-[[[[(2S)-4-(methylthio)-1-(4-nitrophenoxy)-1-oxobutan-2-yl]amino]-oxomethyl]amino]butanoic acid (4-nitrophenyl) ester
- IUPAC
- (4-nitrophenyl) 4-methylsulfanyl-2-[[4-methylsulfanyl-1-(4-nitrophenoxy)-1-oxobutan-2-yl]carbamoylamino]butanoate
Names & synonyms
(2S)-4-(methylthio)-2-[[[[(2S)-4-(methylthio)-1-(4-nitrophenoxy)-1-oxobutan-2-yl]amino]-oxomethyl]amino]butanoic acid (4-nitrophenyl) esterNSC287431NSC-287431
Database identifiers
- CAS
53751-62-5- PubChem CID
- 323952
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 236 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 14
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 744
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Compound notes
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