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Substance Name: Bombolitin IV
RN: 95753-40-5
InChIKey: OOVTXKYATDTCSZ-UHFFFAOYSA-N

Molecular Formula

  • C88-H158-N24-O20

Molecular Weight

  • 1872.3642
 
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Names and Synonyms

Synonyms

  • Bombolitin I (Bombus pennsylvanicus), 2-L-asparagine-4-L-lysine-5-L-aspartic acid-6-L-isoleucine-11-L-valine-15-glycine-
  • Bombolitin IV (Bombus pennsylvanicus)
  • Ile-Asn-Ile-Lys-Asp-Ile-Leu-Ala-Lys-Leu-Val-Lys-Val-Leu-Gly-His-Val-NH2

Systematic Name

  • Bombolitin IV

Registry Numbers

CAS Registry Number

  • 95753-40-5

System Generated Number

  • 0095753405

Structure Descriptors

InChI

1S/C88H158N24O20/c1-20-50(16)67(93)84(128)105-62(39-64(92)113)82(126)111-71(51(17)21-2)87(131)102-56(30-24-27-33-90)77(121)104-63(40-66(115)116)83(127)112-72(52(18)22-3)88(132)107-59(36-45(6)7)79(123)98-53(19)74(118)100-55(29-23-26-32-89)76(120)103-60(37-46(8)9)80(124)110-69(48(12)13)85(129)101-57(31-25-28-34-91)78(122)109-70(49(14)15)86(130)106-58(35-44(4)5)75(119)96-42-65(114)99-61(38-54-41-95-43-97-54)81(125)108-68(47(10)11)73(94)117/h41,43-53,55-63,67-72H,20-40,42,89-91,93H2,1-19H3,(H2,92,113)(H2,94,117)(H,95,97)(H,96,119)(H,98,123)(H,99,114)(H,100,118)(H,101,129)(H,102,131)(H,103,120)(H,104,121)(H,105,128)(H,106,130)(H,107,132)(H,108,125)(H,109,122)(H,110,124)(H,111,126)(H,112,127)(H,115,116)

InChIKey

OOVTXKYATDTCSZ-UHFFFAOYSA-N

Smiles

CCC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(C(C)CC)C(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(=O)NC(C(C)CC)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(Cc1cnc[nH]1)C(=O)NC(C(C)C)C(=O)N)N