basic_info |
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| Product_Name: | (4-([(6S,9S)-1-(BENZYLCARBAMOYL)-2,9-DIMETHYL-4,7-DIOXO-8-(QUINOLIN-8-YLMETHYL)-OCTAHYDRO-1H-PIPERAZINO[2,1-C][1,2,4]TRIAZIN-6-YL]METHYL)PHENOXY)PHOSPHONIC ACID |
| CAS: | 1198780-38-9 |
| EnglishSynonyms: | (4-([(6S,9S)-1-(BENZYLCARBAMOYL)-2,9-DIMETHYL-4,7-DIOXO-8-(QUINOLIN-8-YLMETHYL)-OCTAHYDRO-1H-PIPERAZINO[2,1-C][1,2,4]TRIAZIN-6-YL]METHYL)PHENOXY)PHOSPHONIC ACID |
| pro_mdlNumber: | MFCD18633081 |
| pro_acceptors: | 13 |
| pro_donors: | 3 |
| pro_smile: | C[C@H]1C2N([C@H](C(=O)N1Cc3cccc4c3nccc4)Cc5ccc(cc5)OP(=O)(O)O)C(=O)CN(N2C(=O)NCc6ccccc6)C |
| InChi: | InChI=1S/C33H35N6O7P/c1-22-31-38(29(40)21-36(2)39(31)33(42)35-19-24-8-4-3-5-9-24)28(18-23-13-15-27(16-14-23)46-47(43,44)45)32(41)37(22)20-26-11-6-10-25-12-7-17-34-30(25)26/h3-17,22,28,31H,18-21H2,1-2H3,(H,35,42)(H2,43,44,45)/t22-,28-,31?/m0/s1 |
| InChiKey: | InChIKey=VHOZWHQPEJGPCC-ISZZHBKVSA-N |
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