PELITREXOL

CAS No.
446022-33-9
CCD No.
CCD02010078
Formula
C20 H25 N5 O6 S
MolWeight
463.513

Basic Information

Product Name: PELITREXOL
CAS: 446022-33-9
English Synonyms: PELITREXOL
MDL Number.: MFCD13194949
H bond acceptor: 11
H bond donor: 6
Smile: Cc1cc(sc1CC[C@H]2Cc3c([nH]c(nc3=O)N)NC2)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChi: InChI=1S/C20H25N5O6S/c1-9-6-14(18(29)23-12(19(30)31)3-5-15(26)27)32-13(9)4-2-10-7-11-16(22-8-10)24-20(21)25-17(11)28/h6,10,12H,2-5,7-8H2,1H3,(H,23,29)(H,26,27)(H,30,31)(H4,21,22,24,25,28)/t10-,12-/m0/s1
InChiKey: InChIKey=QXOPTIPQEVJERB-JQWIXIFHSA-N

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