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Substance Name: Neurotensin, gln(4)-
RN: 61445-54-3
InChIKey: DJQZWBXXRHNKCN-ISULXFBGSA-N

Note

  • Same pharmacological & physiological activity as neurotensin.

Molecular Formula

  • C78-H122-N22-O19

Molecular Weight

  • 1671.9568
 
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Names and Synonyms

Name of Substance

  • Neurotensin, gln(4)-

Synonyms

  • 4-Gln-neurotensin
  • Neurotensin, glutamine(4)-

Systematic Name

  • Neurotensin (ox), 4-L-glutamine-

Registry Numbers

CAS Registry Number

  • 61445-54-3

System Generated Number

  • 0061445543

Structure Descriptors

InChI

1S/C78H122N22O19/c1-7-43(6)63(73(115)97-57(76(118)119)37-42(4)5)98-70(112)55(39-45-21-25-47(102)26-22-45)96-72(114)59-18-13-35-100(59)75(117)52(16-11-33-87-78(84)85)91-64(106)48(15-10-32-86-77(82)83)90-71(113)58-17-12-34-99(58)74(116)51(14-8-9-31-79)92-69(111)56(40-61(81)104)95-66(108)50(27-29-60(80)103)89-68(110)54(38-44-19-23-46(101)24-20-44)94-67(109)53(36-41(2)3)93-65(107)49-28-30-62(105)88-49/h19-26,41-43,48-59,63,101-102H,7-18,27-40,79H2,1-6H3,(H2,80,103)(H2,81,104)(H,88,105)(H,89,110)(H,90,113)(H,91,106)(H,92,111)(H,93,107)(H,94,109)(H,95,108)(H,96,114)(H,97,115)(H,98,112)(H,118,119)(H4,82,83,86)(H4,84,85,87)/t43-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,63-/m0/s1

InChIKey

DJQZWBXXRHNKCN-ISULXFBGSA-N

Smiles

[H]/N=C(\N)/NCCC[C@@H](C(=O)N[C@@H](CCCN/C(=N/[H])/N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc4ccc(cc4)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]5CCC(=O)N5