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Substance Name: Palmitoyl(3)-cysteinyl-seryl-(HIV-2(593-603)cyclic disulfide)
RN: 119290-15-2
InChIKey: XQERITKLIPGTDF-TWDUEHBNSA-N

Molecular Formula

  • C111-H183-N19-O23-S3

Molecular Weight

  • 2247.9747
 
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Names and Synonyms

Name of Substance

  • Palmitoyl(3)-cysteinyl-seryl-(HIV-2(593-603)cyclic disulfide)

Synonyms

  • HIV-2 Pcs cyclic disulfide
  • Pam(3)cys-ser(HIV-2(593-603)cyclic disulfide)

Systematic Name

  • L-Cysteine, S-(2,3-bis((1-oxohexadecyl)oxy)propyl)-N-(1-oxohexadecyl)-L-cysteinyl-L-seryl-L-asparaginyl-L-seryl-L-tryptophylglycyl-L-cysteinyl-L-alanyl-L-phenylalanyl-L-arginyl-L-glutaminyl-L-valyl-, cyclic (7-13)-disulfide

Registry Numbers

CAS Registry Number

  • 119290-15-2

System Generated Number

  • 0119290152

Structure Descriptors

InChI

1S/C111H183N19O23S3/c1-7-10-13-16-19-22-25-28-31-34-37-40-46-57-94(135)121-91(74-156-73-79(153-97(138)59-48-42-39-36-33-30-27-24-21-18-15-12-9-3)70-152-96(137)58-47-41-38-35-32-29-26-23-20-17-14-11-8-2)108(148)128-88(69-132)106(146)126-86(65-93(113)134)104(144)127-87(68-131)105(145)125-85(64-78-66-117-81-55-50-49-54-80(78)81)100(140)118-67-95(136)120-89(71-154)107(147)119-76(6)99(139)124-84(63-77-52-44-43-45-53-77)103(143)122-82(56-51-62-116-111(114)115)101(141)123-83(60-61-92(112)133)102(142)130-98(75(4)5)109(149)129-90(72-155)110(150)151/h43-45,49-50,52-55,66,71,75-76,79,82-91,98,117,131-132,155H,7-42,46-48,51,56-65,67-70,72-74H2,1-6H3,(H2,112,133)(H2,113,134)(H,118,140)(H,119,147)(H,120,136)(H,121,135)(H,122,143)(H,123,141)(H,124,139)(H,125,145)(H,126,146)(H,127,144)(H,128,148)(H,129,149)(H,130,142)(H,150,151)(H4,114,115,116)/t76-,79?,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,98-/m0/s1

InChIKey

XQERITKLIPGTDF-TWDUEHBNSA-N

Smiles

CCCCCCCCCCCCCCCC(=O)N[C@@H](CSCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NCC(=O)N[C@@H](C=S)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CS)C(=O)O