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Substance Name: Edratide [USAN:INN:BAN]
RN: 433922-67-9
UNII: 38PLP07BKC
InChIKey: VXXZQHUWZSRPAM-CDJUQFLLSA-N

Note

  • Based on the complementarity determining region of human 16/6Id.

Molecular Formula

  • C111-H149-N27-O28

Molecular Weight

  • 2309.5591
 

Classification Codes

  • Immunomodulator
  • Peptides
  • Treatment of Systemic Lupus Erythematosus
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Names and Synonyms

Name of Substance

  • Edratide
  • Edratide [USAN:INN:BAN]

Synonyms

  • Edratide
  • hCDR1 peptide
  • L-Glycyl-L-tyrosyl- L-tyrosyl- L-tryptophyl-L-seryl-L-tryptophyl-L-isoleucyl-L-arginyl-L-glutaminyl-L-prolyl-L-prolyl-L-glycyl-L-lysyl-L-glycyl-L-glutamyl-L-glutamyl-L-tryptophyl-L-isoleucyl-L-glycine
  • TV-4710
  • UNII-38PLP07BKC

Systematic Name

  • Glycyl-L-tyrosyl-L-tyrosyl-L-tryptophyl-L-seryl-L-tryptophyl-L-isoleucyl-L-arginyl-L-glutaminyl-L-prolyl-L-prolylglycyl-L-lysylglycyl-L-glutamyl-L-glutamyl-L-tryptophyl-L-isoleucylglycine

Registry Numbers

CAS Registry Number

  • 433922-67-9

FDA UNII

  • 38PLP07BKC

System Generated Number

  • 0433922679

Structure Descriptors

InChI

1S/C111H149N27O28/c1-5-59(3)94(107(163)123-57-93(150)151)135-103(159)82(49-64-53-119-72-22-11-8-19-69(64)72)131-99(155)77(38-41-92(148)149)127-98(154)76(37-40-91(146)147)125-89(144)55-121-96(152)74(24-13-14-42-112)124-90(145)56-122-106(162)85-26-16-44-137(85)110(166)86-27-17-45-138(86)109(165)78(36-39-87(114)142)129-97(153)75(25-15-43-117-111(115)116)128-108(164)95(60(4)6-2)136-104(160)83(50-65-54-120-73-23-12-9-20-70(65)73)133-105(161)84(58-139)134-102(158)81(48-63-52-118-71-21-10-7-18-68(63)71)132-101(157)80(47-62-30-34-67(141)35-31-62)130-100(156)79(126-88(143)51-113)46-61-28-32-66(140)33-29-61/h7-12,18-23,28-35,52-54,59-60,74-86,94-95,118-120,139-141H,5-6,13-17,24-27,36-51,55-58,112-113H2,1-4H3,(H2,114,142)(H,121,152)(H,122,162)(H,123,163)(H,124,145)(H,125,144)(H,126,143)(H,127,154)(H,128,164)(H,129,153)(H,130,156)(H,131,155)(H,132,157)(H,133,161)(H,134,158)(H,135,159)(H,136,160)(H,146,147)(H,148,149)(H,150,151)(H4,115,116,117)/t59-,60-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,94-,95-/m0/s1

InChIKey

VXXZQHUWZSRPAM-CDJUQFLLSA-N

Smiles

NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1[C@H](C(=O)N2[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)O)[C@@H](C)CC)Cc3c[nH]c4c3cccc4)CCC(=O)O)CCC(=O)O)CCCCN)CCC2)CCC1)CCC(=O)N)CCCNC(=N)N)[C@@H](C)CC)Cc1c[nH]c2c1cccc2)CO)Cc1c[nH]c2c1cccc2)Cc1ccc(cc1)O)Cc1ccc(cc1)O