| Formula |
C24H35N5O5 |
| IUPAC Name |
ethyl 2-[[(1r)-1-cyclohexyl-2-[(2s)-2-[[4-[(z)-n'-hydroxycarbamimidoyl]phenyl]methylcarbamoyl]azetidin-1-yl]-2-oxo-ethyl]amino]acetate |
| Molecular Mass |
473.565 g·mol−1 |
| Heat of Formation |
-722.5 ± 16.7 kJ·mol−1 |
| Dipole Moment |
2.08 ± 1.08 D |
| Volume |
580.92 Å 3 |
| Surface Area |
417.83 Å 2 |
| HOMO Energy |
-9.02 ± 0.55 eV |
| LUMO Energy |
-0.36 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 2-[[(1r)-2-[(2s)-2-[[4-(aminocarbohydroximoyl)benzyl]carbamoyl]azetidin-1-yl]-1-cyclohexyl-2-keto-ethyl]amino]acetic acid ethyl ester
- 2-[[(1r)-2-[(2s)-2-[[[4-[(z)-amino-hydroxyiminomethyl]phenyl]methylamino]-oxomethyl]-1-azetidinyl]-1-cyclohexyl-2-oxoethyl]amino]acetic acid ethyl ester
- d01981
- ethyl (((1r)-1-cyclohexyl-2-((2s)-2-((4-(hydroxycarbamimidoyl)benzyl)carbamoyl)azetidin-1-yl-2-oxoethyl)amino)acetate
- ethyl 2-[[(1r)-1-cyclohexyl-2-[(2s)-2-[[4-(n'-hydroxycarbamimidoyl)phenyl]methylcarbamoyl]azetidin-1-yl]-2-oxo-ethyl]amino]acetate
- ethyl 2-[[(1r)-1-cyclohexyl-2-[(2s)-2-[[4-(n'-hydroxycarbamimidoyl)phenyl]methylcarbamoyl]azetidin-1-yl]-2-oxo-ethyl]amino]ethanoate
- ethyl 2-[[(1r)-1-cyclohexyl-2-[(2s)-2-[[4-(n'-hydroxycarbamimidoyl)phenyl]methylcarbamoyl]azetidin-1-yl]-2-oxoethyl]amino]acetate
- exanta
- glycine, n-((1)1-cyclohexyl-2-((2)-((((4-(amino(hydroxyimino)methyl)phenyl)methyl)amino)carbonyl)-1-azetidinyl)2-oxoethyl)-, ethyl ester
- glycine, n-((1r)-1-cyclohexyl-2-((2s)-2-((((4-((hydroxyamino)iminomethyl)phenyl)methyl)amino)carbonyl)-1-azetidinyl)-2-oxoethyl)-, ester ester
- h 376-95
- h 376/95
- h 37695
- h-376/95
- ximelagatran (jan/usan)
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| CAS Number(s) |
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| InChIKey |
ZXIBCJHYVWYIKI-PZJWPPBQSA-N |
| QR Code |
Generate QR Code |
| Links |
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|
| DOI |
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| Downloads |
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|
| Elements |
H
C
O
N
|
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