Formula |
C20H23N5O6S |
IUPAC Name |
(2s,5r,6r)-3,3-dimethyl-7-oxo-6-[[(2r)-2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenyl-acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
Molecular Mass |
461.492 g·mol−1 |
Heat of Formation |
-821.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.24 ± 1.08 D |
Volume |
522.9 Å 3 |
Surface Area |
419.14 Å 2 |
HOMO Energy |
-9.16 ± 0.55 eV |
LUMO Energy |
-0.61 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 37091-65-9 (sodium salt)
- 4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[[[[((r)-2-oxo-1-imidazolidinyl)carbonyl]amino]phenylacetyl]amino]-, (2s,5r,6r)-
- bpbio1_000817
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InChIKey |
JTWOMNBEOCYFNV-NFFDBFGFSA-N |
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Downloads |
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Elements |
H
S
C
O
N
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