Formula |
C12H20N4O9S |
IUPAC Name |
(2r)-2-amino-5-[[(1r)-2-[[(3r)-3-methoxy-2-oxo-1-sulfo-azetidin-3-yl]amino]-1-methyl-2-oxo-ethyl]amino]-5-oxo-pentanoic acid |
Molecular Mass |
396.374 g·mol−1 |
Heat of Formation |
-1577.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.09 ± 1.08 D |
Volume |
436.86 Å 3 |
Surface Area |
335.13 Å 2 |
HOMO Energy |
-9.79 ± 0.55 eV |
LUMO Energy |
-0.38 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2r)-2-amino-5-[[(1r)-2-[[(3r)-3-methoxy-2-oxo-1-sulfo-3-azetidinyl]amino]-1-methyl-2-oxoethyl]amino]-5-oxopentanoic acid
- (2r)-2-amino-5-[[(1r)-2-[[(3r)-3-methoxy-2-oxo-1-sulfo-azetidin-3-yl]amino]-1-methyl-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
- (2r)-2-amino-5-[[(2r)-1-[[(3r)-3-methoxy-2-oxo-1-sulfo-azetidin-3-yl]amino]-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid
- (2r)-2-amino-5-keto-5-[[(1r)-2-keto-2-[[(3r)-2-keto-3-methoxy-1-sulfo-azetidin-3-yl]amino]-1-methyl-ethyl]amino]valeric acid
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MOBOUQJWGBVNCR-NQYJQULFSA-N |
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Elements |
H
S
C
O
N
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