Formula |
C13H16N2O5S |
IUPAC Name |
2-[[(2r)-2-(benzyloxycarbonylamino)-3-sulfanyl-propanoyl]amino]acetic acid |
Molecular Mass |
312.342 g·mol−1 |
Heat of Formation |
-825.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.66 ± 1.08 D |
Volume |
356.78 Å 3 |
Surface Area |
331.32 Å 2 |
HOMO Energy |
-9.25 ± 0.55 eV |
LUMO Energy |
2.36 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-[[(2r)-2-(benzyloxycarbonylamino)-3-mercapto-propanoyl]amino]acetic acid
- 2-[[(2r)-2-(phenylmethoxycarbonylamino)-3-sulfanyl-propanoyl]amino]acetic acid
- 2-[[(2r)-2-(phenylmethoxycarbonylamino)-3-sulfanyl-propanoyl]amino]ethanoic acid
- 2-[[(2r)-2-(phenylmethoxycarbonylamino)-3-sulfanylpropanoyl]amino]acetic acid
- 2-[[(2r)-3-mercapto-1-oxo-2-[[oxo-(phenylmethoxy)methyl]amino]propyl]amino]acetic acid
- mp2
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InChIKey |
DHTSUHYTYUXMOL-JTQLQIEISA-N |
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Links |
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Elements |
H
C
S
O
N
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