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Substance Name: Luteinizing hormone-releasing factor(pig), 6-(2,3,4,5,6-pentafluoro-D-phenylalanine)-, monoacetate (salt)
RN: 82317-95-1
InChIKey: ZETHSISVOMPBHQ-QMRUEOQWSA-N

Classification Codes

  • Hormone
  • Reproductive Effect

Molecular Formula

  • C62-H76-F5-N17-O13.C2-H4-O2

Molecular Weight

  • 1422.43
 
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Names and Synonyms

Synonyms

  • (6-(3-(Pentafluorophenyl)-D-alanine))-LHRH acetate
  • (D-Pfp(sup 6))-LHRH acetate

Systematic Name

  • Luteinizing hormone-releasing factor(pig), 6-(2,3,4,5,6-pentafluoro-D-phenylalanine)-, monoacetate (salt)

Registry Numbers

CAS Registry Number

  • 82317-95-1

System Generated Number

  • 0082317951

Molecular Formulas

Molecular Formula

  • C62-H76-F5-N17-O13.C2-H4-O2

Molecular Formula Fragments

  • C2-H4-O2
  • C62-H76-F5-N17-O13
  • COMPONENT

Structure Descriptors

InChI

1S/C62H76F5N17O13.C2H4O2/c1-29(2)19-39(54(90)77-38(9-5-17-72-62(69)70)61(97)84-18-6-10-45(84)60(96)74-26-46(68)87)78-58(94)43(23-35-48(63)50(65)52(67)51(66)49(35)64)82-55(91)40(20-30-11-13-33(86)14-12-30)79-59(95)44(27-85)83-56(92)41(21-31-24-73-36-8-4-3-7-34(31)36)80-57(93)42(22-32-25-71-28-75-32)81-53(89)37-15-16-47(88)76-37;1-2(3)4/h3-4,7-8,11-14,24,28-29,37-45,73,85-86H,5-6,9-10,15-23,25-27H2,1-2H3,(H2,68,87)(H,74,96)(H,76,88)(H,77,90)(H,78,94)(H,79,95)(H,80,93)(H,81,89)(H,82,91)(H,83,92)(H4,69,70,72);1H3,(H,3,4)/t37-,38-,39-,40-,41-,42-,43+,44-,45-;/m0./s1

InChIKey

ZETHSISVOMPBHQ-QMRUEOQWSA-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](Cc2c(c(c(c(c2F)F)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