N-{2-[(Carboxymethyl)Amino]-1-[1-Methyl-4-(Nitrososulfanyl)-4-Piperidinyl]-2-Oxoethyl}Glutamine

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Properties Simple | Detailed

Formula C15H25N5O7S
IUPAC Name (2s)-2-amino-5-[[(1s)-2-(carboxymethylamino)-1-(1-methyl-4-nitrososulfanyl-4-piperidyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
Molecular Mass 419.453 g·mol−1
Heat of Formation -1081.9 ± 16.7 kJ·mol−1
Dipole Moment 4.18 ± 1.08 D
Volume 483.58 Å 3
Surface Area 409.82 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
InChIKey KRTHUBMGFKGGAJ-CABZTGNLSA-N
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