Formula |
C16H22N6O4S |
IUPAC Name |
(4r)-3-[(2s)-3-imidazol-3-ium-4-ylium-4-yl-2-[[(2s)-6-oxopiperidine-2-carbonyl]amino]propanoyl]thiazolidine-4-carboxamide |
Molecular Mass |
394.449 g·mol−1 |
Heat of Formation |
-583.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.43 ± 1.08 D |
Volume |
454.99 Å 3 |
Surface Area |
374.61 Å 2 |
HOMO Energy |
-9.02 ± 0.55 eV |
LUMO Energy |
-0.66 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-n-[(1s)-2-[(4r)-4-carbamoyl-3-thiazolidinyl]-1-(3h-imidazol-4-ylmethyl)-2-oxoethyl]-6-oxo-2-piperidinecarboxamide
- (2s)-n-[(1s)-2-[(4r)-4-carbamoylthiazolidin-3-yl]-1-(3h-imidazol-4-ylmethyl)-2-keto-ethyl]-6-keto-pipecolinamide
- (2s)-n-[(1s)-2-[(4r)-4-carbamoylthiazolidin-3-yl]-1-(3h-imidazol-4-ylmethyl)-2-oxo-ethyl]-6-oxo-piperidine-2-carboxamide
- (2s)-n-[(2s)-1-[(4r)-4-aminocarbonyl-1,3-thiazolidin-3-yl]-3-(3h-imidazol-4-yl)-1-oxo-propan-2-yl]-6-oxo-piperidine-2-carboxamide
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InChIKey |
OGUDACTYCTVDNZ-SRVKXCTJSA-N |
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Links |
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Elements |
H
S
C
O
N
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