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Substance Name: Hepatitis B virus pre-S region fragment 120-145
RN: 104504-34-9
InChIKey: SPSXSWRZQFPVTJ-ZQQKUFEYSA-N

Note

  • Vaccines or candidate vaccines containing inactivated hepatitis B or some of its component antigens and designed to prevent hepatitis B. Some vaccines may be recombinantly produced.

Molecular Formula

  • C135-H199-N39-O38-S

Molecular Weight

  • 3008.36
 
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Names and Synonyms

Results Name

  • Hepatitis B virus pre-S region fragment 120-145

Synonyms

  • Hepatitis B virus pre-S region fragment 120-145
  • Heplisav

Systematic Name

  • Glycine, L-methionyl-L-glutaminyl-L-tryptophyl-L-asparaginyl-L-seryl-L-threonyl-L-threonyl-L-phenylalanyl-L-histidyl-L-glutaminyl-L-threonyl-L-leucyl-L-glutaminyl-L-.alpha.-aspartyl-L-prolyl-L-arginyl-L-valyl-L-arginylglycyl-L-leucyl-L-tyrosyl-L-phenylalanyl-L-prolyl-L-alanylglycyl-

Registry Numbers

CAS Registry Number

  • 104504-34-9

System Generated Number

  • 0104504349

Structure Descriptors

InChI

1S/C135H199N39O38S/c1-66(2)50-87(155-104(185)62-152-112(190)80(136)29-20-45-147-134(142)143)118(196)160-89(53-75-34-36-78(179)37-35-75)121(199)166-94(54-74-26-16-13-17-27-74)131(209)173-47-22-32-97(173)126(204)154-69(7)111(189)151-61-103(184)150-63-106(188)212-133(211)107(68(5)6)169-116(194)83(31-21-46-148-135(144)145)159-127(205)98-33-23-48-174(98)132(210)95(58-105(186)187)167-115(193)85(39-42-100(139)181)157-119(197)88(51-67(3)4)164-128(206)108(70(8)176)170-117(195)86(40-43-101(140)182)158-123(201)92(56-77-60-146-65-153-77)162-120(198)90(52-73-24-14-12-15-25-73)165-129(207)109(71(9)177)172-130(208)110(72(10)178)171-125(203)96(64-175)168-124(202)93(57-102(141)183)163-122(200)91(55-76-59-149-82-30-19-18-28-79(76)82)161-114(192)84(38-41-99(138)180)156-113(191)81(137)44-49-213-11/h12-19,24-28,30,34-37,59-60,65-72,77,80-81,83-98,107-110,149,175-179H,20-23,29,31-33,38-58,61-64,136-137H2,1-11H3,(H2,138,180)(H2,139,181)(H2,140,182)(H2,141,183)(H,150,184)(H,151,189)(H,152,190)(H,154,204)(H,155,185)(H,156,191)(H,157,197)(H,158,201)(H,159,205)(H,160,196)(H,161,192)(H,162,198)(H,163,200)(H,164,206)(H,165,207)(H,166,199)(H,167,193)(H,168,202)(H,169,194)(H,170,195)(H,171,203)(H,172,208)(H,186,187)(H4,142,143,147)(H4,144,145,148)/t69-,70+,71+,72+,77?,80-,81-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,107-,108-,109-,110-/m0/s1

InChIKey

SPSXSWRZQFPVTJ-ZQQKUFEYSA-N

Smiles

C(CNC(CNC([C@@H](NC([C@H]1N(CCC1)C([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](N)CCCNC(=N)N)=O)=O)CC(C)C)=O)Cc1ccc(O)cc1)=O)Cc1ccccc1)=O)=O)C)=O)=O)(=O)OC([C@@H](NC([C@@H](NC([C@H]1N(CCC1)C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N)CCSC)=O)CCC(=O)N)=O)Cc1c[nH]c2ccccc12)=O)CC(=O)N)=O)CO)=O)[C@@H](C)O)=O)[C@@H](C)O)=O)Cc1ccccc1)=O)C[C@@H]1C=NC=N1)=O)CCC(=O)N)=O)[C@@H](C)O)=O)CC(C)C)=O)CCC(=O)N)=O)CC(=O)O)=O)=O)CCCNC(=N)N)=O)C(C)C)=O