Formula |
C13H17N3O4S |
IUPAC Name |
2-[[(2r)-3-(4-acetamidophenyl)sulfanyl-2-amino-propanoyl]amino]acetic acid |
Molecular Mass |
311.357 g·mol−1 |
Heat of Formation |
-642.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
9.93 ± 1.08 D |
Volume |
366.53 Å 3 |
Surface Area |
319.49 Å 2 |
HOMO Energy |
-8.60 ± 0.55 eV |
LUMO Energy |
-0.60 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-[[(2r)-3-(4-acetamidophenyl)sulfanyl-2-amino-propanoyl]amino]acetic acid
- 2-[[(2r)-3-(4-acetamidophenyl)sulfanyl-2-amino-propanoyl]amino]ethanoic acid
- 2-[[(2r)-3-[(4-acetamidophenyl)thio]-2-amino-1-oxopropyl]amino]acetic acid
- 2-[[(2r)-3-[(4-acetamidophenyl)thio]-2-amino-propanoyl]amino]acetic acid
- aa-cys-cg
- acetaminophen cysteinylglycine
- glycine, n-(s-(4-(acetylamino)phenyl)-l-cysteinyl)-
- n-(s-(4-(acetylamino)phenyl)-l-cysteinyl)glycine
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CAS Number(s) |
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InChIKey |
KUWSNHSHZVMAQS-NSHDSACASA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
S
C
O
N
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