HOMOCYSTEINE, S-[[3-[[[2-[[[(11BETA,16ALPHA,17ALPHA)-9-FLUORO-11,17-DIHYDROXY-16-METHYL-3-OXOANDROSTA-1,4-DIEN-17-YL]CARBONYL]AMINO]ETHYL]THIO]METHYL]PHENYL]METHYL]-N-[4-(METHYLAMINO)BENZOYL]-,1,1-DIMETHYLETHYL ESTER

pro_cas
1103723-57-4
pro_cdbregno
CCD01674333
pro_formula
C47 H62 F N3 O7 S2
pro_molWeight
864.151

basic_info

Product_Name: HOMOCYSTEINE, S-[[3-[[[2-[[[(11BETA,16ALPHA,17ALPHA)-9-FLUORO-11,17-DIHYDROXY-16-METHYL-3-OXOANDROSTA-1,4-DIEN-17-YL]CARBONYL]AMINO]ETHYL]THIO]METHYL]PHENYL]METHYL]-N-[4-(METHYLAMINO)BENZOYL]-,1,1-DIMETHYLETHYL ESTER
CAS: 1103723-57-4
EnglishSynonyms: HOMOCYSTEINE, S-[[3-[[[2-[[[(11BETA,16ALPHA,17ALPHA)-9-FLUORO-11,17-DIHYDROXY-16-METHYL-3-OXOANDROSTA-1,4-DIEN-17-YL]CARBONYL]AMINO]ETHYL]THIO]METHYL]PHENYL]METHYL]-N-[4-(METHYLAMINO)BENZOYL]-,1,1-DIMETHYLETHYL ESTER
pro_mdlNumber: MFCD12547757
pro_acceptors: 10
pro_donors: 5
pro_smile: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)NCCSCc5cccc(c5)CSCCC(C(=O)OC(C)(C)C)NC(=O)c6ccc(cc6)NC)O)C)O)F)C
InChi: InChI=1S/C47H62FN3O7S2/c1-29-23-37-36-16-13-33-25-35(52)17-19-44(33,5)46(36,48)39(53)26-45(37,6)47(29,57)42(56)50-20-22-60-28-31-10-8-9-30(24-31)27-59-21-18-38(41(55)58-43(2,3)4)51-40(54)32-11-14-34(49-7)15-12-32/h8-12,14-15,17,19,24-25,29,36-39,49,53,57H,13,16,18,20-23,26-28H2,1-7H3,(H,50,56)(H,51,54)/t29-,36+,37+,38?,39+,44+,45+,46+,47+/m1/s1
InChiKey: InChIKey=LFAMNLRXXYIHRA-ICMFZTFSSA-N

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