(2S,4R)-1-[(2S)-2-(3-{3-[(2S)-2-({[7-(8-chloronaphthalen-1-yl)-4-[(3S)-3-(cyanomethyl)-4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-5H,6H,8H-pyrido[3,4-d]pyrimidin-2-yl]oxy}methyl)pyrrolidin-1-yl]propoxy}propanamido)-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide

CAS: 2502156-03-6

Formula: C59H71ClFN11O7S

SMILES: CC1=C(SC=N1)C1=CC=C(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCCN2CCC[C@H]2COC2=NC(N3CCN([C@@H](CC#N)C3)C(=O)C(F)=C)=C3CCN(CC3=N2)C2=C3C(Cl)=CC=CC3=CC=C2)C(C)(C)C)C=C1

IUPAC: (2S,4R)-1-[(2S)-2-(3-{3-[(2S)-2-({[7-(8-chloronaphthalen-1-yl)-4-[(3S)-3-(cyanomethyl)-4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-2-yl]oxy}methyl)pyrrolidin-1-yl]propoxy}propanamido)-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide

InChI: InChI=1S/C59H71ClFN11O7S/c1-37(61)56(76)71-27-26-70(32-42(71)19-22-62)54-45-20-25-69(48-14-7-11-40-10-6-13-46(60)51(40)48)34-47(45)65-58(67-54)79-35-43-12-8-23-68(43)24-9-28-78-29-21-50(74)66-53(59(3,4)5)57(77)72-33-44(73)30-49(72)55(75)63-31-39-15-17-41(18-16-39)52-38(2)64-36-80-52/h6-7,10-11,13-18,36,42-44,49,53,73H,1,8-9,12,19-21,23-35H2,2-5H3,(H,63,75)(H,66,74)/t42-,43-,44+,49-,53+/m0/s1

Composition: C (62.56%), H (6.32%), Cl (3.13%), F (1.68%), N (13.60%), O (9.89%), S (2.83%)

Molar Mass: 1132.8

Atom Count: 151

Heavy Atom Count: 80