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Substance Name: Bombesin, leu(13)-psi-CH2NH-leu(14)-
RN: 115136-07-7
InChIKey: KXKRXZCGTAPUDX-MSGQSUMNSA-N

Note

  • Bombesin antagonist.

Molecular Formula

  • C72-H114-N24-O17

Molecular Weight

  • 1587.84
 
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Names and Synonyms

Name of Substance

  • Bombesin, leu(13)-psi-CH2NH-leu(14)-

Synonyms

  • 13-Leu-psi-CH2NH-14-leu-bombesin
  • Bombesin, leucyl(13)-psi-CH2NH-leucine(14)-
  • L-Psi-L-BB
  • Leu(13)-psi-CH2NH-leu(14)-BB
  • Lpsilb

Systematic Name

  • Bombesin, 13-de-L-leucine-14-(N2-(2-amino-4-methylpentyl)-L-leucinamide)-

Registry Numbers

CAS Registry Number

  • 115136-07-7

System Generated Number

  • 0115136077

Structure Descriptors

InChI

1S/C72H114N24O17/c1-35(2)23-42(31-82-49(61(76)103)24-36(3)4)87-69(111)52(27-41-30-79-34-85-41)89-59(102)33-84-71(113)60(38(7)8)96-62(104)39(9)86-68(110)51(26-40-29-81-44-14-11-10-13-43(40)44)95-67(109)48(17-20-55(74)98)93-70(112)53(28-56(75)99)90-58(101)32-83-63(105)50(25-37(5)6)94-64(106)45(15-12-22-80-72(77)78)91-66(108)47(16-19-54(73)97)92-65(107)46-18-21-57(100)88-46/h10-11,13-14,29-30,34-39,42,45-53,60,81-82H,12,15-28,31-33H2,1-9H3,(H2,73,97)(H2,74,98)(H2,75,99)(H2,76,103)(H,79,85)(H,83,105)(H,84,113)(H,86,110)(H,87,111)(H,88,100)(H,89,102)(H,90,101)(H,91,108)(H,92,107)(H,93,112)(H,94,106)(H,95,109)(H,96,104)(H4,77,78,80)/t39-,42?,45-,46-,47-,48-,49-,50-,51-,52-,53-,60-/m0/s1

InChIKey

KXKRXZCGTAPUDX-MSGQSUMNSA-N

Smiles

C1[C@H](NC(C1)=O)C(N[C@@H](CCC(N)=O)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC(C)C)C(NCC(N[C@H](C(N[C@@H](CCC(N)=O)C(N[C@H](C(=O)N[C@@H](C)C(N[C@H](C(NCC(N[C@@H](Cc1cnc[nH]1)C(N[C@@H](CC(C)C)CN[C@@H](CC(C)C)C(N)=O)=O)=O)=O)C(C)C)=O)Cc1c[nH]c2ccccc12)=O)=O)CC(N)=O)=O)=O)=O)=O)=O