basic_info |
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Product_Name: | (3S)-3-AMINO-2,3,4,5-TETRAHYDRO-2-OXO-1H-1-BENZAZEPINE-1-ACETATIC ACID 1,2-DIMETHYLETHYL ESTER, (2R,3R)-2,3-DIHYDROXYBUTANEDIOATE(1:1) |
CAS: | 182561-27-9 |
EnglishSynonyms: | (1:1) (3S)-3-AMINO-2,3,4,5-TETRAHYDRO-2-OXO-1H-1-BENZAZEPINE-1-ACETATIC ACID1,2-DIMETHYLETHYL ESTER,(2R,3R)-2,3-DIHYDROXYBUTANEDIOATE(1:1) ; (S)-3-AMINO-2,3,4,5-TETRAHYDRO-2-OXO-1H-1-BENZAZEPINE-1-ACETATIC ACID 1,2-DIMETHYLETHYL ESTER,(2R,3R)-2,3-DIHYDROXYBUTANEDIOATE(1:1) ; (S)-3-AMINO-2,3,4,5-TETRAHYDRO-2-OXO-1H-1-BENZAZEPINE-1-ACETATIC ACID1,2-DIMETHYLETHYL ESTER,(2R,3R)-2,3-DIHYDROXYBUTANEDIOATE(1:1) ; (3S)-3-AMINO-2,3,4,5-TETRAHYDRO-2-OXO-1H-1-BENZAZEPINE-1-ACETATIC ACID 1,2-DIMETHYLETHYL ESTER, (2R,3R)-2,3-DIHYDROXYBUTANEDIOATE(1:1) |
pro_mdlNumber: | MFCD13152162 |
pro_acceptors: | 5 |
pro_donors: | 1 |
pro_smile: | CCC(C)OC(=O)CN1c2ccccc2CC[C@@H](C1=O)N.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O |
InChi: | InChI=1S/C16H22N2O3.C4H6O6/c1-3-11(2)21-15(19)10-18-14-7-5-4-6-12(14)8-9-13(17)16(18)20;5-1(3(7)8)2(6)4(9)10/h4-7,11,13H,3,8-10,17H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t11?,13-;1-,2-/m01/s1 |
InChiKey: | InChIKey=SMVCNOHOEVTUAS-VUBHDIFTSA-N |
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