PLSFTNPLHSDDWH_Chemical Cloud Database

PLSFTNPLHSDDWH

Basic Information
Product Name：	PLSFTNPLHSDDWH
English Synonyms：	PLSFTNPLHSDDWH ; PROTEIN-TYROSINE PHOSPHATASE-PEST-WT
MDL Number.：	MFCD18252116
H bond acceptor：	43
H bond donor：	23
Smile：	CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N2CCC[C@@H]2C(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc3c[nH]cn3)C(=O)N[C@@H](CO)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](Cc4c[nH]c5c4cccc5)C(=O)N[C@H](Cc6c[nH]cn6)C(=O)O)NC(=O)[C@@H]7CCCN7
InChi：	InChI=1S/C76H104N20O23/c1-37(2)21-47(84-63(105)46-17-11-19-80-46)65(107)93-56(33-97)71(113)85-49(23-40-13-7-6-8-14-40)70(112)95-62(39(5)99)74(116)91-54(27-59(77)100)75(117)96-20-12-18-58(96)73(115)90-48(22-38(3)4)64(106)87-51(25-42-31-78-35-82-42)67(109)94-57(34-98)72(114)89-53(29-61(103)104)69(111)88-52(28-60(101)102)68(110)86-50(24-41-30-81-45-16-10-9-15-44(41)45)66(108)92-55(76(118)119)26-43-32-79-36-83-43/h6-10,13-16,30-32,35-39,46-58,62,80-81,97-99H,11-12,17-29,33-34H2,1-5H3,(H2,77,100)(H,78,82)(H,79,83)(H,84,105)(H,85,113)(H,86,110)(H,87,106)(H,88,111)(H,89,114)(H,90,115)(H,91,116)(H,92,108)(H,93,107)(H,94,109)(H,95,112)(H,101,102)(H,103,104)(H,118,119)/t39-,46+,47+,48-,49+,50-,51-,52-,53-,54+,55-,56+,57+,58-,62+/m1/s1
InChiKey：	InChIKey=HFKXERRQWDWPNW-CMSKYDGQSA-N

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