| Formula |
C17H24N6O4S |
| IUPAC Name |
(3r,6r)-n-[(1s)-2-[(2s)-2-carbamoylpyrrolidin-1-yl]-1-(imidazol-3-ium-4-ylium-4-ylmethyl)-2-oxo-ethyl]-6-methyl-5-oxo-thiomorpholine-3-carboxamide |
| Molecular Mass |
408.475 g·mol−1 |
| Heat of Formation |
-598.2 ± 16.7 kJ·mol−1 |
| Dipole Moment |
9.34 ± 1.08 D |
| Volume |
479.3 Å 3 |
| Surface Area |
402.55 Å 2 |
| HOMO Energy |
-8.90 ± 0.55 eV |
| LUMO Energy |
-0.34 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- (3r,6r)-n-[(1s)-2-[(2s)-2-carbamoyl-1-pyrrolidinyl]-1-(3h-imidazol-4-ylmethyl)-2-oxoethyl]-6-methyl-5-oxo-3-thiomorpholinecarboxamide
- (3r,6r)-n-[(1s)-2-[(2s)-2-carbamoylpyrrolidin-1-yl]-1-(3h-imidazol-4-ylmethyl)-2-keto-ethyl]-5-keto-6-methyl-thiomorpholine-3-carboxamide
- (3r,6r)-n-[(1s)-2-[(2s)-2-carbamoylpyrrolidin-1-yl]-1-(3h-imidazol-4-ylmethyl)-2-oxo-ethyl]-6-methyl-5-oxo-thiomorpholine-3-carboxamide
- (3r,6r)-n-[(2s)-1-[(2s)-2-aminocarbonylpyrrolidin-1-yl]-3-(3h-imidazol-4-yl)-1-oxo-propan-2-yl]-6-methyl-5-oxo-thiomorpholine-3-carboxamide
- cg-3703
- cnk-602a
- d02588
- ps-24
|
| InChIKey |
RSHMQGIMHQPMEB-IXOXFDKPSA-N |
| QR Code |
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| Links |
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|
| DOI |
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| Downloads |
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|
| Elements |
H
S
C
O
N
|
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