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

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Formula C19H26N4O10S
IUPAC Name (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[[(1s)-1-(hydroxymethyl)-2-(4-nitrophenoxy)ethyl]sulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
Molecular Mass 502.495 g·mol−1
Heat of Formation -1416.8 ± 16.7 kJ·mol−1
Dipole Moment 5.70 ± 1.08 D
Volume 566.2 Å 3
Surface Area 498.96 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -1.24 ± eV
Point Group Symmetry C1
InChIKey ONDJXYORNZPTMY-KKUMJFAQSA-N
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