(2S)-2-Amino-5-[[(1R)-2-(Carboxymethylamino)-1-[[2-(4-Nitrophenyl)-2-Oxo-Ethyl]Sulfanylmethyl]-2-Oxo-Ethyl]Amino]-5-Oxo-Pentanoic Acid

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Properties Simple | Detailed

Formula C18H22N4O9S
IUPAC Name (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
Molecular Mass 470.454 g·mol−1
Heat of Formation -1211.7 ± 16.7 kJ·mol−1
Dipole Moment 3.02 ± 1.08 D
Volume 526.28 Å 3
Surface Area 471.33 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -1.71 ± eV
Point Group Symmetry C1
InChIKey RTLHVKDALFADDR-STQMWFEESA-N
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