C26-H37-Cl-N4-O6-S2
Basic information
- CAS
575-52-0- Standard SMILES
C=CCSCC(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O.CCN(CC)CCOC(=O)c1ccc(N)cc1Cl- InChIKey
QTSRNJOUSLIETA-UHFFFAOYSA-N- Molecular formula
- C26H37ClN4O6S2
- Average molar mass
- 601.2 g/mol
- Monoisotopic mass
- 600.184305
Names & identifiers
- Preferred name
- C26-H37-Cl-N4-O6-S2
- IUPAC
- 2-(diethylamino)ethyl 4-amino-2-chlorobenzoate;3,3-dimethyl-7-oxo-6-[(2-prop-2-enylsulfanylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Names & synonyms
575-52-0C26-H37-Cl-N4-O6-S2DTXSID709730356-({1-Hydroxy-2-[(prop-2-en-1-yl)sulfanyl]ethylidene}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid--2-(diethylamino)ethyl 4-amino-2-chlorobenzoate (1/1)
Database identifiers
- CAS
575-52-0- PubChem CID
- 11329
- DTXSID
DTXSID70973035
Properties
Computed structural properties
- Topological polar surface area
- 193 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 13
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 754
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Compound notes
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