EDATREXATE ,80576-83-6 _Chemical Cloud Database

EDATREXATE

Basic Information
Product Name：	EDATREXATE
CAS：	80576-83-6
English Synonyms：	(2S)-2-[[4-[1-(2,4-DIAMINOPTERIDIN-6-YL)BUTAN-2-YL]BENZOYL]AMINO]PENTANEDIOIC ACID ; EDATREXATE
MDL Number.：	MFCD00866254
H bond acceptor：	12
H bond donor：	5
Smile：	CCC(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChi：	InChI=1S/C22H25N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,10-11,15H,2,7-9H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H4,23,24,25,28,29)/t11?,15-/m0/s1
InChiKey：	InChIKey=FSIRXIHZBIXHKT-MHTVFEQDSA-N

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