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| Product_Name: | H-TYR-SER-PHE-VAL-HIS-HIS-GLY-PHE-PHE-ASN-PHE-ARG-VAL-SER-TRP-ARG-GLU-MET-LEU-ALA-OH |
| CAS: | 175799-54-9 |
| EnglishSynonyms: | CDK2 INHIBITOR ; TYR-SER-PHE-VAL-HIS-HIS-GLY-PHE-PHE-ASN-PHE-ARG-VAL-SER-TRP-ARG-GLU-MET-LEU-ALA-OH ; PROTEIN KINASE INHIBITOR CDK2 ; H-TYR-SER-PHE-VAL-HIS-HIS-GLY-PHE-PHE-ASN-PHE-ARG-VAL-SER-TRP-ARG-GLU-MET-LEU-ALA-OH ; CDK2 INHIBITOR I ; YSFVHHGFFNFRVSWREMLA ; TYR-SER-PHE-VAL-HIS-HIS-GLY-PHE-PHE-ASN-PHE-ARG-VAL-SER-TRP-ARG-GLU-MET-LEU-ALA |
| pro_mdlNumber: | MFCD00798752 |
| pro_acceptors: | 59 |
| pro_donors: | 35 |
| pro_smile: | CC(C)C[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc5ccccc5)NC(=O)CNC(=O)[C@H](Cc6c[nH]cn6)NC(=O)[C@H](Cc7c[nH]cn7)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc8ccccc8)NC(=O)[C@H](CO)NC(=O)[C@H](Cc9ccc(cc9)O)N |
| InChi: | InChI=1S/C121H164N32O27S/c1-65(2)47-85(107(167)136-68(7)119(179)180)142-105(165)84(43-46-181-8)141-104(164)83(41-42-98(159)160)140-103(163)81(35-23-44-130-120(124)125)138-111(171)90(53-74-57-132-80-34-22-21-33-78(74)80)146-116(176)95(62-155)151-118(178)100(67(5)6)152-106(166)82(36-24-45-131-121(126)127)139-109(169)87(50-70-27-15-10-16-28-70)144-113(173)93(56-96(123)157)148-110(170)88(51-71-29-17-11-18-30-71)143-108(168)86(49-69-25-13-9-14-26-69)137-97(158)60-133-102(162)91(54-75-58-128-63-134-75)147-112(172)92(55-76-59-129-64-135-76)149-117(177)99(66(3)4)153-114(174)89(52-72-31-19-12-20-32-72)145-115(175)94(61-154)150-101(161)79(122)48-73-37-39-77(156)40-38-73/h9-22,25-34,37-40,57-59,63-68,79,81-95,99-100,132,154-156H,23-24,35-36,41-56,60-62,122H2,1-8H3,(H2,123,157)(H,128,134)(H,129,135)(H,133,162)(H,136,167)(H,137,158)(H,138,171)(H,139,169)(H,140,163)(H,141,164)(H,142,165)(H,143,168)(H,144,173)(H,145,175)(H,146,176)(H,147,172)(H,148,170)(H,149,177)(H,150,161)(H,151,178)(H,152,166)(H,153,174)(H,159,160)(H,179,180)(H4,124,125,130)(H4,126,127,131)/t68-,79-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,99-,100-/m0/s1 |
| InChiKey: | InChIKey=VQBHXIDLTWRFBY-QQTQKECVSA-N |
property |
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| Comments: | ASSAY (HPLC) |
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