basic_info |
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| Product_Name: | CYCLOPROPA[E]PYRROLO[1,2-A][1,4]DIAZACYCLOPENTADECINE-14A(5H)-CARBOXYLIC ACID, 2-[[(4-BROMOPHENYL)SULFONYL]OXY]-6-[[(CYCLOPENTYLOXY)CARBONYL]AMINO]-1,2,3,6,7,8,9,10,11,13A,14,15,16,16A-TETRADECAHYDRO-5,16-DIOXO-, METHYL ESTER, (2S,6S,12Z,13AS,14AR,16AS)- |
| CAS: | 782479-05-4 |
| EnglishSynonyms: | CYCLOPROPA[E]PYRROLO[1,2-A][1,4]DIAZACYCLOPENTADECINE-14A(5H)-CARBOXYLIC ACID, 2-[[(4-BROMOPHENYL)SULFONYL]OXY]-6-[[(CYCLOPENTYLOXY)CARBONYL]AMINO]-1,2,3,6,7,8,9,10,11,13A,14,15,16,16A-TETRADECAHYDRO-5,16-DIOXO-, METHYL ESTER, (2S,6S,12Z,13AS,14AR,16AS)- |
| pro_mdlNumber: | MFCD20275066 |
| pro_acceptors: | 12 |
| pro_donors: | 2 |
| pro_smile: | COC(=O)[C@@]12C[C@H]1/C=C\CCCCC[C@@H](C(=O)N3C[C@H](C[C@H]3C(=O)N2)OS(=O)(=O)c4ccc(cc4)Br)NC(=O)OC5CCCC5 |
| InChi: | InChI=1S/C31H40BrN3O9S/c1-42-29(38)31-18-20(31)9-5-3-2-4-6-12-25(33-30(39)43-22-10-7-8-11-22)28(37)35-19-23(17-26(35)27(36)34-31)44-45(40,41)24-15-13-21(32)14-16-24/h5,9,13-16,20,22-23,25-26H,2-4,6-8,10-12,17-19H2,1H3,(H,33,39)(H,34,36)/b9-5-/t20-,23+,25+,26+,31-/m1/s1 |
| InChiKey: | InChIKey=NFIASRIGRHLDCZ-GSEIMQHYSA-N |
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