| Formula |
C18H19N3O5S |
| IUPAC Name |
(6r,7r)-7-[[(2r)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-[(z)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Molecular Mass |
389.426 g·mol−1 |
| Heat of Formation |
-540.5 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.92 ± 1.08 D |
| Volume |
445.68 Å 3 |
| Surface Area |
372.91 Å 2 |
| HOMO Energy |
-9.25 ± 0.55 eV |
| LUMO Energy |
-0.76 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- (6r,7r)-7-[[(2r)-2-amino-2-(4-hydroxyphenyl)-1-oxoethyl]amino]-8-oxo-3-[(z)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- (6r,7r)-7-[[(2r)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-keto-3-[(z)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- (6r,7r)-7-[[(2r)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-[(z)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- (6r,7r)-7-[[(2r)-2-amino-2-(4-hydroxyphenyl)ethanoyl]amino]-8-oxo-3-[(z)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- (6r,7r)-7-{[(2r)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-8-oxo-3-[(1z)-prop-1-en-1-yl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- bmy-28100
- bmy-28100-03-800
|
| InChIKey |
WDLWHQDACQUCJR-AGGBKSKLSA-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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