| Formula |
C34H49N5O6S |
| IUPAC Name |
[(1s)-1-benzyl-2-[[(1r)-2-[[(1s,2r)-1-(cyclohexylmethyl)-2-hydroxy-3-(4-pyridyloxy)propyl]amino]-1-(methylsulfanylmethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl] 4-aminopiperidine-1-carboxylate |
| Molecular Mass |
655.848 g·mol−1 |
| Heat of Formation |
-1080.4 ± 16.7 kJ·mol−1 |
| Dipole Moment |
9.46 ± 1.08 D |
| Volume |
812.13 Å 3 |
| Surface Area |
591.34 Å 2 |
| HOMO Energy |
-8.49 ± 0.55 eV |
| LUMO Energy |
2.89 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 4-amino-1-piperidinecarboxylic acid [(1s)-2-[[(1r)-2-[[(1s,2r)-1-(cyclohexylmethyl)-2-hydroxy-3-(4-pyridyloxy)propyl]amino]-1-[(methylthio)methyl]-2-oxoethyl]amino]-2-oxo-1-(phenylmethyl)ethyl] ester
- 4-aminopiperidine-1-carboxylic acid [(1s)-1-(benzyl)-2-[[(1r)-2-[[(1s,2r)-1-(cyclohexylmethyl)-2-hydroxy-3-(4-pyridyloxy)propyl]amino]-2-keto-1-[(methylthio)methyl]ethyl]amino]-2-keto-ethyl] ester
- [(1s)-2-[[(1r)-2-[[(1s,2r)-1-(cyclohexylmethyl)-2-hydroxy-3-(4-pyridyloxy)propyl]amino]-1-(methylsulfanylmethyl)-2-oxo-ethyl]amino]-2-oxo-1-(phenylmethyl)ethyl] 4-aminopiperidine-1-carboxylate
- [(2s)-1-[[(2r)-1-[[(2s,3r)-1-cyclohexyl-3-hydroxy-4-pyridin-4-yloxy-butan-2-yl]amino]-3-methylsulfanyl-1-oxo-propan-2-yl]amino]-1-oxo-3-phenyl-propan-2-yl] 4-aminopiperidine-1-carboxylate
- [(2s)-1-[[(2r)-1-[[(2s,3r)-1-cyclohexyl-3-hydroxy-4-pyridin-4-yloxybutan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl] 4-aminopiperidine-1-carboxylate
- mrm-hfa-cym-pch
|
| InChIKey |
KLENYDNRGAWIAG-ORYMTKCHSA-N |
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| Links |
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| DOI |
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|
| Elements |
H
C
S
O
N
|
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