(S)-Linagliptin tert-Butyl Ester


CAS No. : 668273-74-3

(S)-Linagliptin tert-Butyl Ester,668273-74-3
Product Details
Cat No:R033236
Synonyms:[(3S)-1-[7-(2-Butynyl)-2,3,6,7-tetrahydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-2,6-dioxo-1H-purin-8-yl]-3-piperidinyl]carbamic Acid 1,1-Dimethylethyl Ester
Molecular Formula:C30H36N8O4
Molecular Weight:572.67
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Cat No:R033236
Cas No:668273-74-3
Product-Name:(S)-Linagliptin tert-Butyl Ester
IUPAC Name:tert-butyl N-[(3S)-1-[7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-2,6-dioxopurin-8-yl]piperidin-3-yl]carbamate
InChI:InChI=1S/C30H36N8O4/c1-7-8-16-37-24-25(34-27(37)36-15-11-12-20(17-36)32-28(40)42-30(3,4)5)35(6)29(41)38(26(24)39)18-23-31-19(2)21-13-9-10-14-22(21)33-23/h9-10,13-14,20H,11-12,15-18H2,1-6H3,(H,32,40)/t20-/m0/s1
InChIKey:PQEIZFATTRGTNW-FQEVSTJZSA-N
SMILES:CC#CCN1C2=C(N=C1N3CCCC(C3)NC(=O)OC(C)(C)C)N(C(=O)N(C2=O)CC4=NC5=CC=CC=C5C(=N4)C)C
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