3-Amino-4-(2,4,5-trifluorophenyl)butanyl Sitagliptin

ISO 17034:
Catalog Number : CS-T-66323
CAS Number : 2072867-07-1
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Product Information

Product Name : "3-Amino-4-(2,4,5-trifluorophenyl)butanyl Sitagliptin"
Category : Intermediates

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Canonical SMILES : C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(CC3=CC(=C(C=C3F)F)F)NC(=O)CC(CC4=CC(=C(C=C4F)F)F)N
Isomeric SMILES : C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)NC(=O)C[C@@H](CC4=CC(=C(C=C4F)F)F)N
InChI : InChI=1S/C26H23F9N6O2/c27-16-9-20(31)18(29)5-12(16)3-14(36)7-23(42)37-15(4-13-6-19(30)21(32)10-17(13)28)8-24(43)40-1-2-41-22(11-40)38-39-25(41)26(33,34)35/h5-6,9-10,14-15H,1-4,7-8,11,36H2,(H,37,42)/t14-,15-/m1/s1
InchIKey : KEGYDGSEECVTIB-HUUCEWRRSA-N
IUPAC Name : (3R)-3-amino-N-[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]-4-(2,4,5-trifluorophenyl)butanamide
Exact Mass : 622.17387746