MF: C21H23N5O6
MW: 441.4g/mol
IUPAC Name: (2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-5-methoxy-5-oxopentanoic acid
Isomeric SMILES: COC(=O)CC[C@@H](C(=O)O)NC(=O)C1=CC=C(C=C1)CCC2=CNC3=C2C(=O)NC(=N3)N
InChIKey: KHRSEJRFFOKXIA-AWEZNQCLSA-N
InChI: InChI=1S/C21H23N5O6/c1-32-15(27)9-8-14(20(30)31)24-18(28)12-5-2-11(3-6-12)4-7-13-10-23-17-16(13)19(29)26-21(22)25-17/h2-3,5-6,10,14H,4,7-9H2,1H3,(H,24,28)(H,30,31)(H4,22,23,25,26,29)/t14-/m0/s1