(2S)-2-Amino-5-[[(1R)-2-(Carboxymethylamino)-1-[[(4R)-4-(6-Hydroxyhexylsulfanyl)-7-Nitro-5H-2,1,3-Benzoxadiazol-4-Yl]Sulfanylmethyl]-2-Oxo-Ethyl]Amino]-5-Oxo-Pentanoic Acid

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Formula C22H32N6O10S2
IUPAC Name (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[[(4r)-4-(6-hydroxyhexylsulfanyl)-7-nitro-5h-2,1,3-benzoxadiazol-4-yl]sulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
Molecular Mass 604.654 g·mol−1
Heat of Formation -1129.1 ± 16.7 kJ·mol−1
Dipole Moment 6.70 ± 1.08 D
Volume 683.59 Å 3
Surface Area 586.58 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -1.72 ± eV
Point Group Symmetry C1
InChIKey NXUVINUSXFJSCT-FBJOKTGGSA-N
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