MEVGWYRSPFSRVVHLY

pro_cas
pro_cdbregno
CCD00739153
pro_formula
C100 H144 N26 O24 S
pro_molWeight
2126.46

basic_info

Product_Name: MEVGWYRSPFSRVVHLY
EnglishSynonyms: MEVGWYRSPFSRVVHLY ; MOG (35-51) ; H-MET-GLU-VAL-GLY-TRP-TYR-ARG-SER-PRO-PHE-SER-ARG-VAL-VAL-HIS-LEU-TYR-OH
pro_mdlNumber: MFCD09264868
pro_acceptors: 50
pro_donors: 30
pro_smile: CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc5ccc(cc5)O)NC(=O)[C@H](Cc6c[nH]c7c6cccc7)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)N
InChi: InChI=1S/C100H144N26O24S/c1-52(2)40-69(87(138)120-74(98(149)150)43-58-27-31-62(130)32-28-58)116-91(142)73(45-60-47-106-51-111-60)119-95(146)81(54(5)6)125-96(147)82(55(7)8)124-85(136)67(23-16-37-108-100(104)105)115-92(143)75(49-127)121-89(140)71(41-56-18-11-10-12-19-56)118-93(144)77-24-17-38-126(77)97(148)76(50-128)122-84(135)66(22-15-36-107-99(102)103)114-88(139)70(42-57-25-29-61(129)30-26-57)117-90(141)72(44-59-46-109-65-21-14-13-20-63(59)65)112-78(131)48-110-94(145)80(53(3)4)123-86(137)68(33-34-79(132)133)113-83(134)64(101)35-39-151-9/h10-14,18-21,25-32,46-47,51-55,64,66-77,80-82,109,127-130H,15-17,22-24,33-45,48-50,101H2,1-9H3,(H,106,111)(H,110,145)(H,112,131)(H,113,134)(H,114,139)(H,115,143)(H,116,142)(H,117,141)(H,118,144)(H,119,146)(H,120,138)(H,121,140)(H,122,135)(H,123,137)(H,124,136)(H,125,147)(H,132,133)(H,149,150)(H4,102,103,107)(H4,104,105,108)/t64-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,80-,81-,82-/m0/s1
InChiKey: InChIKey=XBMQYMVLOJMQRT-BYKVYSLTSA-N

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