Search Result : Detailed Informations
| Low Mol Weight Allergen Name |
CAS# |
CID |
| Penicilloyl G |
61-33-6
|
5904
|
| Structure |
Other Information |
|
| Canonical SMILES |
CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C
|
| Iso SMILES |
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C
|
| InChI |
InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1
|
| InChI Key |
JGSARLDLIJGVTE-MBNYWOFBSA-N
|
| Formula |
C16H18N2O4S
|
| Mol Weight |
334.39 |
| XlogP3 |
1.8 |
| Charge |
0 |
|
Click structure image, you can go to pubchem link...
| Synonyms Information |
| CAS Name |
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| IUPAC Name |
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| Openeye Name |
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| Systematic Name |
(2S,5R,6R)-3,3-dimethyl-7-oxidanylidene-6-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| Tratitional Name |
(2S,5R,6R)-3,3-dimethyl-7-oxidanylidene-6-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
|
