| Formula |
C22H33N3O4 |
| IUPAC Name |
4-[[(2r,5s)-5-[(2s)-2-(aminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-yl]methoxy]-3-tert-butyl-benzoic acid |
| Molecular Mass |
403.515 g·mol−1 |
| Heat of Formation |
-722.5 ± 16.7 kJ·mol−1 |
| Dipole Moment |
9.36 ± 1.08 D |
| Volume |
506.09 Å 3 |
| Surface Area |
426.57 Å 2 |
| HOMO Energy |
-9.02 ± 0.55 eV |
| LUMO Energy |
-0.59 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 4-[[(2r,5s)-5-[(2s)-2-(aminomethyl)pyrrolidin-1-yl]carbonylpyrrolidin-2-yl]methoxy]-3-tert-butyl-benzoic acid
- 4-[[(2r,5s)-5-[(2s)-2-(aminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-yl]methoxy]-3-tert-butyl-benzoic acid
- 4-[[(2r,5s)-5-[(2s)-2-(aminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-yl]methoxy]-3-tert-butylbenzoic acid
- 4-[[(2r,5s)-5-[[(2s)-2-(aminomethyl)-1-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]methoxy]-3-tert-butylbenzoic acid
- 4-{[(2r,5s)-5-{[(2s)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methoxy}-3-tert-butylbenzoic acid
|
| InChIKey |
HSZIDSCIKNQFGX-RYRKJORJSA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
H
C
O
N
|
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