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Substance Name: L-Prolinamide, N(sup 2)-((phenylmethoxy)carbonyl)-L-glutaminyl-L-tryptophyl-L-seryl-L-tyrosyl-threo-beta-hydroxy-D-phenylalanyl-L-leucyl-L-arginyl-N-ethyl-, monoacetate (salt), tetrahydrate
RN: 71033-69-7
InChIKey: CTOHFEIFQHIEIT-IZNCXHCQSA-N

Classification Codes

  • Hormone
  • Reproductive Effect

Molecular Formula

  • C64-H84-N14-O14.C2-H2-O2.4H2-O

Molecular Weight

  • 1333.5032
 
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Names and Synonyms

Synonym

  • Z-(Gln(sup 1)-des-His(sup 2)-D-Pse(sup 6)-des-Gly(sup 10))-LHRH ethylamide acetate 4H2-O

Systematic Name

  • L-Prolinamide, N(sup 2)-((phenylmethoxy)carbonyl)-L-glutaminyl-L-tryptophyl-L-seryl-L-tyrosyl-threo-beta-hydroxy-D-phenylalanyl-L-leucyl-L-arginyl-N-ethyl-, monoacetate (salt), tetrahydrate

Registry Numbers

CAS Registry Number

  • 71033-69-7

System Generated Number

  • 0071033697

Molecular Formulas

Molecular Formula

  • C64-H84-N14-O14.C2-H2-O2.4H2-O

Molecular Formula Fragments

  • C2-H2-O2
  • C64-H84-N14-O14
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C64H84N14O14.C2H4O2/c1-4-68-60(88)51-22-14-30-78(51)62(90)46(21-13-29-69-63(66)67)71-56(84)47(31-37(2)3)74-61(89)53(54(82)40-17-9-6-10-18-40)77-58(86)48(32-38-23-25-42(80)26-24-38)72-59(87)50(35-79)75-57(85)49(33-41-34-70-44-20-12-11-19-43(41)44)73-55(83)45(27-28-52(65)81)76-64(91)92-36-39-15-7-5-8-16-39;1-2(3)4/h5-12,15-20,23-26,34,37,45-51,53-54,70,79-80,82H,4,13-14,21-22,27-33,35-36H2,1-3H3,(H2,65,81)(H,68,88)(H,71,84)(H,72,87)(H,73,83)(H,74,89)(H,75,85)(H,76,91)(H,77,86)(H4,66,67,69);1H3,(H,3,4)/t45-,46-,47-,48-,49-,50-,51-,53+,54-;/m0./s1

InChIKey

CTOHFEIFQHIEIT-IZNCXHCQSA-N

Smiles

CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([C@H](c2ccccc2)O)NC(=O)[C@H](Cc3ccc(cc3)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4c[nH]c5c4cccc5)NC(=O)[C@H](CCC(=O)N)NC(=O)OCc6ccccc6.CC(=O)O