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Substance Name: Tuna AI
RN: 117620-76-5
InChIKey: QHUUNGHLTDXTBT-GVOZJOKJSA-N

Note

  • Isolated from tuna muscle.

Molecular Formula

  • C44-H64-N12-O12

Molecular Weight

  • 953.0616
 
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Names and Synonyms

Name of Substance

  • Tuna AI

Synonyms

  • Pro-thr-his-ile-lys-trp-gly-asp
  • Prolyl-threonyl-histidyl-isoleucyl-lysyl-trptophyl-glycyl-aspartic acid

Systematic Name

  • L-Aspartic acid, N-(N-(N-(N2-(N-(N-(N-L-prolyl-L-threonyl)-L-histidyl)-L-isoleucyl)-L-lysyl)-L-tryptophyl)glycyl)-

Registry Numbers

CAS Registry Number

  • 117620-76-5

System Generated Number

  • 0117620765

Structure Descriptors

InChI

1S/C44H64N12O12/c1-4-23(2)36(55-41(64)32(17-26-20-46-22-50-26)54-43(66)37(24(3)57)56-39(62)29-13-9-15-47-29)42(65)52-30(12-7-8-14-45)40(63)53-31(16-25-19-48-28-11-6-5-10-27(25)28)38(61)49-21-34(58)51-33(44(67)68)18-35(59)60/h5-6,10-11,19-20,22-24,26,29-33,36-37,47-48,57H,4,7-9,12-18,21,45H2,1-3H3,(H,49,61)(H,51,58)(H,52,65)(H,53,63)(H,54,66)(H,55,64)(H,56,62)(H,59,60)(H,67,68)/t23-,24+,26?,29-,30-,31-,32-,33-,36-,37-/m0/s1

InChIKey

QHUUNGHLTDXTBT-GVOZJOKJSA-N

Smiles

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CC3C=NC=N3)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]4CCCN4