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Substance Name: Luteinizing hormone-releasing factor(pig), 1-de(5-oxo-L-proline)-2-(N-((phenylmethoxy)carbonyl)-O-(phenylmethyl)-L-serine)-6-D-phenylalanine-, hydrochloride, hydrate (2:3:8)
RN: 63929-61-3
InChIKey: QORSQOQZMMVDLC-NLSSXQAJSA-N

Classification Codes

  • Hormone
  • Reproductive Effect

Molecular Formula

  • C69-H86-N14-O14.3/2Cl-H.4H2-O

Molecular Weight

  • 2924.5459
 
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Names and Synonyms

Synonym

  • Z-(Ser(Bz1)(sup 1)-des-His(sup 2)-D-Phe(sup 6))-LHRH hydrochloride hydrate (2:3:8)

Systematic Name

  • Luteinizing hormone-releasing factor(pig), 1-de(5-oxo-L-proline)-2-(N-((phenylmethoxy)carbonyl)-O-(phenylmethyl)-L-serine)-6-D-phenylalanine-, hydrochloride, hydrate (2:3:8)

Registry Numbers

CAS Registry Number

  • 63929-61-3

System Generated Number

  • 0063929613

Molecular Formulas

Molecular Formula

  • C69-H86-N14-O14.3/2Cl-H.4H2-O

Molecular Formula Fragments

  • C69-H86-N14-O14
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C69H86N14O14.3ClH.8H2O/c2*1-42(2)32-52(60(87)76-51(24-14-30-73-68(71)72)67(94)83-31-15-25-58(83)66(93)75-37-59(70)86)77-61(88)53(33-43-16-6-3-7-17-43)78-62(89)54(34-44-26-28-48(85)29-27-44)79-64(91)56(38-84)81-63(90)55(35-47-36-74-50-23-13-12-22-49(47)50)80-65(92)57(41-96-39-45-18-8-4-9-19-45)82-69(95)97-40-46-20-10-5-11-21-46;;;;;;;;;;;/h2*3-13,16-23,26-29,36,42,51-58,74,84-85H,14-15,24-25,30-35,37-41H2,1-2H3,(H2,70,86)(H,75,93)(H,76,87)(H,77,88)(H,78,89)(H,79,91)(H,80,92)(H,81,90)(H,82,95)(H4,71,72,73);3*1H;8*1H2/t2*51-,52-,53+,54-,55?,56-,57-,58-;;;;;;;;;;;/m00.........../s1

InChIKey

QORSQOQZMMVDLC-NLSSXQAJSA-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](Cc2ccccc2)NC(=O)[C@H](Cc3ccc(cc3)O)NC(=O)[C@H](CO)NC(=O)C(Cc4c[nH]c5c4cccc5)NC(=O)[C@H](COCc6ccccc6)NC(=O)OCc7ccccc7.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](Cc2ccccc2)NC(=O)[C@H](Cc3ccc(cc3)O)NC(=O)[C@H](CO)NC(=O)C(Cc4c[nH]c5c4cccc5)NC(=O)[C@H](COCc6ccccc6)NC(=O)OCc7ccccc7.O.O.O.O.O.O.O.O.Cl.Cl.Cl