Molecular Structure:
CCD No.:CCD00997012
BETA-CYCLOHEXYL-D-ALANINE BENZYL ESTER P-TOLUENESULFONATE
CAS No.:
800412-57-1
Formula:C16 H23 N O2 . C7 H8 O3 S
MolWeight:433.566
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| Product Name： | BETA-CYCLOHEXYL-D-ALANINE BENZYL ESTER P-TOLUENESULFONATE |
| CAS： | 800412-57-1 |
| English Synonyms： | BETA-CYCLOHEXYL-D-ALANINE BENZYL ESTER P-TOLUENESULFONATE ; H-D-CHA-OBZL TOS-OH |
| MDL Number.： | MFCD11041244 |
| H bond acceptor： | 3 |
| H bond donor： | 1 |
| Smile： | Cc1ccc(cc1)S(=O)(=O)O.c1ccc(cc1)COC(=O)[C@@H](CC2CCCCC2)N |
| InChi： | InChI=1S/C16H23NO2.C7H8O3S/c17-15(11-13-7-3-1-4-8-13)16(18)19-12-14-9-5-2-6-10-14;1-6-2-4-7(5-3-6)11(8,9)10/h2,5-6,9-10,13,15H,1,3-4,7-8,11-12,17H2;2-5H,1H3,(H,8,9,10)/t15-;/m1./s1 |
| InChiKey： | InChIKey=UBMOHBTVHRTJCL-XFULWGLBSA-N |
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