PRE-S1 (12-32)

pro_cas
pro_cdbregno
CCD00107938
pro_formula
C104 H154 N26 O31 S
pro_molWeight
2296.58

basic_info

Product_Name: PRE-S1 (12-32)
EnglishSynonyms: HEPATITIS B SURFACE ANTIGEN ; MGTNLSVPNPLGFFPDHQLDP ; PRE-S (12-32) ; M-P31 PROTEIN ; ANTIGEN (HEPATITIS B VIRUS SUBTYPE ADR CLONE M13MP9-LP39-RCT GENE PRE-S2 SURFACE PROTEIN MOIETY REDUCED) ; PRE-S1 (12-32) ; H-MET-GLY-THR-ASN-LEU-SER-VAL-PRO-ASN-PRO-LEU-GLY-PHE-PHE-PRO-ASP-HIS-GLN-LEU-ASP-PRO-OH ; HBSAG P31 PROTEIN ; HBSAG ; P31C ; HEPATITIS B VIRUS SURFACE ANTIGEN
pro_mdlNumber: MFCD00237082
pro_acceptors: 57
pro_donors: 26
pro_smile: CC(C)C[C@@H](C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4c[nH]cn4)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N5CCC[C@H]5C(=O)O)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CC(=O)N)NC(=O)[C@@H]7CCCN7C(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCSC)N
InChi: InChI=1S/C104H154N26O31S/c1-52(2)37-62(118-96(152)73-25-18-33-128(73)101(157)70(44-79(108)135)123-98(154)75-27-19-34-129(75)103(159)84(55(7)8)126-95(151)72(50-131)124-90(146)64(39-54(5)6)116-93(149)67(43-78(107)134)120-99(155)85(56(9)132)125-81(137)49-110-86(142)60(105)31-36-162-10)87(143)111-48-80(136)113-65(40-57-21-13-11-14-22-57)91(147)121-69(41-58-23-15-12-16-24-58)100(156)127-32-17-26-74(127)97(153)119-68(45-82(138)139)94(150)117-66(42-59-47-109-51-112-59)92(148)114-61(29-30-77(106)133)88(144)115-63(38-53(3)4)89(145)122-71(46-83(140)141)102(158)130-35-20-28-76(130)104(160)161/h11-16,21-24,47,51-56,60-76,84-85,131-132H,17-20,25-46,48-50,105H2,1-10H3,(H2,106,133)(H2,107,134)(H2,108,135)(H,109,112)(H,110,142)(H,111,143)(H,113,136)(H,114,148)(H,115,144)(H,116,149)(H,117,150)(H,118,152)(H,119,153)(H,120,155)(H,121,147)(H,122,145)(H,123,154)(H,124,146)(H,125,137)(H,126,151)(H,138,139)(H,140,141)(H,160,161)/t56-,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,84+,85+/m1/s1
InChiKey: InChIKey=LKSMFQVSGAFORH-NJTRVBSCSA-N

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