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Substance Name: Neosulfakinin I
RN: 145269-74-5
InChIKey: GWMHNGKMTUHLPS-BXXNOCLASA-N

Note

  • Isolated from the fleshfly, Neobellieria bullata; a myotropic peptide with a putative sulfated tyrosine residue; may be C-terminally amidated.

Molecular Weight

  • 1186.31
 
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Names and Synonyms

Name of Substance

  • Neosulfakinin I

Synonyms

  • Neb-SK-I
  • Neosulfakinin-I
  • Phe-asp-asp-tyr-gly-his-met-arg-phe-(NH2)
  • Phenylalanyl-aspartyl-aspartyl-tyrosyl-glycyl-histidyl-methionyl-arginyl-phenylalaninamide

Systematic Name

  • Neosulfakinin I

Registry Numbers

CAS Registry Number

  • 145269-74-5

System Generated Number

  • 0145269745

Structure Descriptors

InChI

1S/C54H71N15O14S/c1-84-20-18-37(50(80)64-36(13-8-19-60-54(57)58)49(79)66-38(46(56)76)22-31-11-6-3-7-12-31)65-51(81)40(24-33-27-59-29-62-33)63-43(71)28-61-48(78)39(23-32-14-16-34(70)17-15-32)68-53(83)42(26-45(74)75)69-52(82)41(25-44(72)73)67-47(77)35(55)21-30-9-4-2-5-10-30/h2-7,9-12,14-17,27,29,35-42,70H,8,13,18-26,28,55H2,1H3,(H2,56,76)(H,59,62)(H,61,78)(H,63,71)(H,64,80)(H,65,81)(H,66,79)(H,67,77)(H,68,83)(H,69,82)(H,72,73)(H,74,75)(H4,57,58,60)/t35-,36-,37-,38-,39-,40-,41-,42-/m0/s1

InChIKey

GWMHNGKMTUHLPS-BXXNOCLASA-N

Smiles

N(C([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N)Cc1ccccc1)=O)CC(=O)O)=O)CC(=O)O)=O)Cc1ccc(cc1)O)=O)=O)Cc1cnc[nH]1)=O)CCSC)=O)CCCNC(N)=N)=O)[C@@H](Cc1ccccc1)C(=O)N