N-(Phenylacetyl)Cysteinylvaline

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Properties Simple | Detailed

Formula C16H22N2O4S
IUPAC Name (2s)-3-methyl-2-[[(2r)-2-[(2-phenylacetyl)amino]-3-sulfanyl-propanoyl]amino]butanoic acid
Molecular Mass 338.422 g·mol−1
Heat of Formation -721.6 ± 16.7 kJ·mol−1
Dipole Moment 2.62 ± 1.08 D
Volume 417.69 Å 3
Surface Area 356.45 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
InChIKey GHKVIBLDOGCQDR-JSGCOSHPSA-N
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