basic_info |
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| Product_Name: | (2S,5R,6R)-6-[[(2R)-AMINO-3-(4-HYDROXYPHENYL)-1-OXOPROPYL]AMINO]-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTAINE-2-CARBOXYLIC ACID |
| CAS: | 81651-19-6 |
| EnglishSynonyms: | (2S,5R,6R)-6-[[(2R)-AMINO-3-(4-HYDROXYPHENYL)-1-OXOPROPYL]AMINO]-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTAINE-2-CARBOXYLIC ACID |
| pro_mdlNumber: | MFCD12031411 |
| pro_acceptors: | 8 |
| pro_donors: | 4 |
| pro_smile: | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](Cc3ccc(cc3)O)N)C(=O)O)C |
| InChi: | InChI=1S/C17H21N3O5S/c1-17(2)12(16(24)25)20-14(23)11(15(20)26-17)19-13(22)10(18)7-8-3-5-9(21)6-4-8/h3-6,10-12,15,21H,7,18H2,1-2H3,(H,19,22)(H,24,25)/t10-,11-,12+,15-/m1/s1 |
| InChiKey: | InChIKey=NTJLYLVPQNMYTA-MCYUEQNJSA-N |
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