Ethyl N-[2,2-Dimethyl-3-(Nitrooxy)Propanoyl]-L-Cysteinate

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Properties Simple | Detailed

Formula C10H18N2O6S
IUPAC Name ethyl (2r)-2-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]-3-sulfanyl-propanoate
Molecular Mass 294.325 g·mol−1
Heat of Formation -752.6 ± 16.7 kJ·mol−1
Dipole Moment 4.82 ± 1.08 D
Volume 348.68 Å 3
Surface Area 289.61 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[(2,2-dimethyl-3-nitrooxy-1-oxopropyl)amino]-3-mercaptopropanoic acid ethyl ester
  • (2r)-2-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]-3-mercapto-propionic acid ethyl ester
  • ethyl (2r)-2-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]-3-sulfanyl-propanoate
  • l-cysteine, n-(2,2-dimethyl-3-(nitrooxy)-1-oxopropyl)-, ethyl ester
  • n-(3-nitratopivaloyl)cysteine ethyl ester
CAS Number(s)
  • 130432-17-6
InChIKey KCKXBNDUEKMBFJ-ZETCQYMHSA-N
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