Formula |
C13H21N3O7S2 |
IUPAC Name |
(2s)-2-amino-6-[[(3r,4r)-1-[(1s)-1-carboxy-2-[(s)-methylsulfinyl]ethyl]-2-oxo-4-sulfanyl-azetidin-3-yl]amino]-6-oxo-hexanoic acid |
Molecular Mass |
395.452 g·mol−1 |
Heat of Formation |
-1164.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.69 ± 1.08 D |
Volume |
441.02 Å 3 |
Surface Area |
385.32 Å 2 |
HOMO Energy |
-8.93 ± 0.55 eV |
LUMO Energy |
2.07 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-2-amino-6-[[(2r,3r)-1-[(1s)-2-hydroxy-1-[[(s)-methylsulfinyl]methyl]-2-oxoethyl]-2-mercapto-4-oxo-3-azetidinyl]amino]-6-oxohexanoic acid
- (2s)-2-amino-6-[[(3r,4r)-1-[(1s)-2-hydroxy-1-[[(s)-methylsulfinyl]methyl]-2-oxo-ethyl]-2-oxo-4-sulfanyl-azetidin-3-yl]amino]-6-oxo-hexanoic acid
- (2s)-2-amino-6-[[(3r,4r)-1-[(1s)-2-hydroxy-2-keto-1-[[(s)-methylsulfinyl]methyl]ethyl]-2-keto-4-mercapto-azetidin-3-yl]amino]-6-keto-hexanoic acid
- (2s)-2-amino-6-[[(3r,4r)-1-[(2s)-1-hydroxy-3-[(s)-methylsulfinyl]-1-oxo-propan-2-yl]-2-oxo-4-sulfanyl-azetidin-3-yl]amino]-6-oxo-hexanoic acid
- (2s)-2-amino-6-[[(3r,4r)-1-[(2s)-1-hydroxy-3-[(s)-methylsulfinyl]-1-oxopropan-2-yl]-2-oxo-4-sulfanylazetidin-3-yl]amino]-6-oxohexanoic acid
- 1-[(1s)-carboxy-2-(methylsulfinyl)ethyl]-(3r)-[(5s)-5-amino-5-carboxypentanamido]-(4r)-sulfanylazetidin-2-one
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InChIKey |
UFLVUEXXBDLOEJ-QUNHDKFLSA-N |
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Elements |
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