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Substance Name: Luteinizing hormone-releasing factor(pig), 6-(3-(1-bromo-2-naphthalenyl)-D-alanine)-, monoacetate (salt)
RN: 82318-00-1
InChIKey: RZOPVXQOFJHINK-NUZRHMIVSA-N

Classification Codes

  • Hormone
  • Reproductive Effect

Molecular Formula

  • C66-H82-Br-N17-O13.C2-H4-O2

Molecular Weight

  • 1461.4354
 
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Names and Synonyms

Synonyms

  • (6-(3-(1-Bromo-2-naphthyl)-D-alanine))-LHRH acetate
  • (D-Bna(sup 6))-LHRH acetate

Systematic Name

  • Luteinizing hormone-releasing factor(pig), 6-(3-(1-bromo-2-naphthalenyl)-D-alanine)-, monoacetate (salt)

Registry Numbers

CAS Registry Number

  • 82318-00-1

System Generated Number

  • 0082318001

Molecular Formulas

Molecular Formula

  • C66-H82-Br-N17-O13.C2-H4-O2

Molecular Formula Fragments

  • C2-H4-O2
  • C66-H82-Br-N17-O13
  • COMPONENT

Structure Descriptors

InChI

1S/C66H82BrN17O13.C2H4O2/c1-35(2)25-47(58(90)77-46(13-7-23-72-66(69)70)65(97)84-24-8-14-53(84)64(96)74-32-54(68)87)78-60(92)49(27-38-18-17-37-9-3-4-11-43(37)56(38)67)80-59(91)48(26-36-15-19-41(86)20-16-36)79-63(95)52(33-85)83-61(93)50(28-39-30-73-44-12-6-5-10-42(39)44)81-62(94)51(29-40-31-71-34-75-40)82-57(89)45-21-22-55(88)76-45;1-2(3)4/h3-6,9-12,15-20,30,34-35,45-53,73,85-86H,7-8,13-14,21-29,31-33H2,1-2H3,(H2,68,87)(H,74,96)(H,76,88)(H,77,90)(H,78,92)(H,79,95)(H,80,91)(H,81,94)(H,82,89)(H,83,93)(H4,69,70,72);1H3,(H,3,4)/t45-,46-,47-,48-,49+,50-,51-,52-,53-;/m0./s1

InChIKey

RZOPVXQOFJHINK-NUZRHMIVSA-N

Smiles

CC(C)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2Br)NC(=O)[C@H](Cc4ccc(cc4)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc5c[nH]c6c5cccc6)NC(=O)[C@H](CC7=NC=NC7)NC(=O)[C@@H]8CCC(=O)N8.CC(=O)O