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Substance Name: Luteinizing hormone-releasing factor (pig), 6-(3-(trifluoromethyl)-D-phenylalanine), monoacetate, (salt)
RN: 82317-97-3
InChIKey: JWXJJNBTAIBJSA-OQPFYVBKSA-N

Classification Codes

  • Hormone
  • Reproductive Effect

Molecular Formula

  • C63-H80-F3-N17-O13.C2-H4-O2

Molecular Weight

  • 1400.4766
 
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Names and Synonyms

Synonyms

  • (D-Mtf6)-LHRH acetate
  • 6-(3-(m-(Trifluoromethyl)phenyl)-D-alanine)-LHRH acetate

Systematic Name

  • Luteinizing hormone-releasing factor (pig), 6-(3-(trifluoromethyl)-D-phenylalanine), monoacetate, (salt)

Registry Numbers

CAS Registry Number

  • 82317-97-3

System Generated Number

  • 0082317973

Molecular Formulas

Molecular Formula

  • C63-H80-F3-N17-O13.C2-H4-O2

Molecular Formula Fragments

  • C2-H4-O2
  • C63-H80-F3-N17-O13
  • COMPONENT

Structure Descriptors

InChI

1S/C63H80F3N17O13.C2H4O2/c1-33(2)22-44(54(89)76-43(12-6-20-71-62(68)69)61(96)83-21-7-13-50(83)60(95)73-30-51(67)86)77-56(91)46(25-35-8-5-9-37(23-35)63(64,65)66)78-55(90)45(24-34-14-16-39(85)17-15-34)79-59(94)49(31-84)82-57(92)47(26-36-28-72-41-11-4-3-10-40(36)41)80-58(93)48(27-38-29-70-32-74-38)81-53(88)42-18-19-52(87)75-42;1-2(3)4/h3-5,8-11,14-17,23,28,32-33,42-50,72,84-85H,6-7,12-13,18-22,24-27,29-31H2,1-2H3,(H2,67,86)(H,73,95)(H,75,87)(H,76,89)(H,77,91)(H,78,90)(H,79,94)(H,80,93)(H,81,88)(H,82,92)(H4,68,69,71);1H3,(H,3,4)/t42-,43-,44-,45-,46+,47-,48-,49-,50-;/m0./s1

InChIKey

JWXJJNBTAIBJSA-OQPFYVBKSA-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](Cc2cccc(c2)C(F)(F)F)NC(=O)[C@H](Cc3ccc(cc3)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4c[nH]c5c4cccc5)NC(=O)[C@H](CC6=NC=NC6)NC(=O)[C@@H]7CCC(=O)N7.CC(=O)O