3-{[2-({N-[(2R)-2,4-Dihydroxy-3,3-Dimethylbutanoyl]-β-Alanyl}Amino)Ethyl]Sulfanyl}-2-Oxopropanoic Acid
Properties
Property | Value |
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Formula | C14H24N2O7S |
IUPAC Name | 3-[2-[3-[[(2r)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-2-oxo-propanoic acid |
Molecular Mass | 364.415 g·mol−1 |
Heat of Formation | -1368.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.38 ± 1.08 D |
Volume | 433.81 Å 3 |
Surface Area | 333.22 Å 2 |
HOMO Energy | -9.24 ± 0.55 eV |
LUMO Energy | -1.09 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | DEOWJOKPBNHRSS-NSHDSACASA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C O N |