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Substance Name: Peptide S 42
RN: 57997-72-5
InChIKey: KNKLHQNVXZBPMT-HMEXOHAISA-N

Note

  • Leads to suppression of experimental allergic encephalomyelitis in guinea pigs.

Molecular Formula

  • C138-H181-N33-O30

Molecular Weight

  • 2782.15
 
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Names and Synonyms

Name of Substance

  • Peptide S 42

Systematic Name

  • Glycine, L-phenylalanyl-L-seryl-L-tryptophyl-L-glutaminyl-L-lysyl-L-phenylalanyl-L-seryl-L-tryptophyl-L-glutaminyl-L-lysyl-L-phenylalanyl-L-seryl-L-tryptophyl-L-glutaminyl-L-lysyl-L-phenylalanyl-L-seryl-L-tryptophyl-L-glutaminyl-L-lysyl-

Registry Numbers

CAS Registry Number

  • 57997-72-5

System Generated Number

  • 0057997725

Structure Descriptors

InChI

1S/C138H181N33O30/c139-57-25-21-45-95(120(183)152-73-118(180)181)153-124(187)99(49-53-114(144)176)157-132(195)107(66-83-70-149-92-42-18-14-38-87(83)92)165-136(199)111(75-173)169-128(191)103(62-79-31-7-2-8-32-79)162-122(185)97(47-23-27-59-141)155-126(189)101(51-55-116(146)178)159-134(197)109(68-85-72-151-94-44-20-16-40-89(85)94)167-138(201)113(77-175)171-130(193)105(64-81-35-11-4-12-36-81)163-123(186)98(48-24-28-60-142)156-127(190)102(52-56-117(147)179)160-133(196)108(67-84-71-150-93-43-19-15-39-88(84)93)166-137(200)112(76-174)170-129(192)104(63-80-33-9-3-10-34-80)161-121(184)96(46-22-26-58-140)154-125(188)100(50-54-115(145)177)158-131(194)106(65-82-69-148-91-41-17-13-37-86(82)91)164-135(198)110(74-172)168-119(182)90(143)61-78-29-5-1-6-30-78/h1-20,29-44,69-72,90,95-113,148-151,172-175H,21-28,45-68,73-77,139-143H2,(H2,144,176)(H2,145,177)(H2,146,178)(H2,147,179)(H,152,183)(H,153,187)(H,154,188)(H,155,189)(H,156,190)(H,157,195)(H,158,194)(H,159,197)(H,160,196)(H,161,184)(H,162,185)(H,163,186)(H,164,198)(H,165,199)(H,166,200)(H,167,201)(H,168,182)(H,169,191)(H,170,192)(H,171,193)(H,180,181)/t90-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-/m0/s1

InChIKey

KNKLHQNVXZBPMT-HMEXOHAISA-N

Smiles

C(CNC([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](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N)Cc1ccccc1)=O)CO)=O)Cc1c[nH]c2ccccc12)=O)CCC(=O)N)=O)CCCCN)=O)Cc1ccccc1)=O)CO)=O)Cc1c[nH]c2ccccc12)=O)CCC(=O)N)=O)CCCCN)=O)Cc1ccccc1)=O)CO)=O)Cc1c[nH]c2ccccc12)=O)CCC(=O)N)=O)CCCCN)=O)Cc1ccccc1)=O)CO)=O)Cc1c[nH]c2ccccc12)=O)CCC(=O)N)=O)CCCCN)=O)(=O)O