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Substance Name: (N-Nal(2)(sup 6)-NMe-Leu(sup 7))-LHRH acetate
RN: 82318-08-9
InChIKey: MVKLRWDHGOXOMO-SDJUNVRPSA-N

Classification Codes

  • Hormone
  • Reproductive Effect

Molecular Formula

  • C67-H85-N17-O13.C2-H4-O2

Molecular Weight

  • 1396.5661
 
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Names and Synonyms

Results Name

  • (N-Nal(2)(sup 6)-NMe-Leu(sup 7))-LHRH acetate

Synonyms

  • (6-(3-(2-Naphthyl)-D-alanine)-7-(N(sup alpha)-methyleucine))-LHRH acetate
  • (N-Nal(2)(sup 6)-NMe-Leu(sup 7))-LHRH acetate

Systematic Name

  • Luteinizing hormone-releasing factor(pig), 6-(3-(2-naphthalenyl)-D-alanine)-7-(N-methyl-L-leucine)-, monoacetate (salt)

Registry Numbers

CAS Registry Number

  • 82318-08-9

System Generated Number

  • 0082318089

Molecular Formulas

Molecular Formula

  • C67-H85-N17-O13.C2-H4-O2

Molecular Formula Fragments

  • C2-H4-O2
  • C67-H85-N17-O13
  • COMPONENT

Structure Descriptors

InChI

1S/C67H85N17O13.C2H4O2/c1-37(2)26-55(64(95)77-48(14-8-24-72-67(69)70)66(97)84-25-9-15-54(84)63(94)74-34-56(68)87)83(3)65(96)52(29-39-16-19-40-10-4-5-11-41(40)27-39)81-59(90)49(28-38-17-20-44(86)21-18-38)78-62(93)53(35-85)82-60(91)50(30-42-32-73-46-13-7-6-12-45(42)46)79-61(92)51(31-43-33-71-36-75-43)80-58(89)47-22-23-57(88)76-47;1-2(3)4/h4-7,10-13,16-21,27,32,36-37,47-55,73,85-86H,8-9,14-15,22-26,28-31,33-35H2,1-3H3,(H2,68,87)(H,74,94)(H,76,88)(H,77,95)(H,78,93)(H,79,92)(H,80,89)(H,81,90)(H,82,91)(H4,69,70,72);1H3,(H,3,4)/t47-,48-,49-,50-,51-,52+,53-,54-,55-;/m0./s1

InChIKey

MVKLRWDHGOXOMO-SDJUNVRPSA-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)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)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