basic_info |
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Product_Name: | VTP-27999 2,2,2-TRIFLUOROACETATE |
CAS: | 1013937-63-7 |
EnglishSynonyms: | N-[2-[(R)-(3-CHLOROPHENYL)[(3R)-1-[[[(2S)-2-(METHYLAMINO)-3-[(3R)-TETRAHYDRO-2H-PYRAN-3-YL]PROPYL]AMINO]CARBONYL]-3-PIPERIDINYL]METHOXY]ETHYL]CARBAMIC ACID METHYL ESTER 2,2,2-TRIFLUOROACETATE ; VTP-27999 (2,2,2-TRIFLUOROACETATE(1:1)) ; VTP-27999 2,2,2-TRIFLUOROACETATE ; CARBAMIC ACID, N-[2-[(R)-(3-CHLOROPHENYL)[(3R)-1-[[[(2S)-2-(METHYLAMINO)-3-[(3R)-TETRAHYDRO-2H-PYRAN-3-YL]PROPYL]AMINO]CARBONYL]-3-PIPERIDINYL]METHOXY]ETHYL]-, METHYL ESTER, 2,2,2-TRIFLUOROACETATE ; VTP-27999 TFA SALT |
pro_mdlNumber: | MFCD11977765 |
pro_acceptors: | 9 |
pro_donors: | 3 |
pro_smile: | CN[C@@H](C[C@H]1CCCOC1)CNC(=O)N2CCC[C@H](C2)C(c3cccc(c3)Cl)OCCNC(=O)OC.C(=O)(C(F)(F)F)O |
InChi: | InChI=1S/C26H41ClN4O5.C2HF3O2/c1-28-23(14-19-6-5-12-35-18-19)16-30-25(32)31-11-4-8-21(17-31)24(20-7-3-9-22(27)15-20)36-13-10-29-26(33)34-2;3-2(4,5)1(6)7/h3,7,9,15,19,21,23-24,28H,4-6,8,10-14,16-18H2,1-2H3,(H,29,33)(H,30,32);(H,6,7)/t19-,21-,23+,24?;/m1./s1 |
InChiKey: | InChIKey=SYWYSVAEGXHOJO-WHTVDMENSA-N |
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