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Substance Name: BOC-(Ser(Bz1)-des-His2-D-Trp6)-LHRH
RN: 63889-45-2
InChIKey: OKVCCMXZXDYRRO-URDANULDSA-N

Classification Codes

  • Hormone
  • Reproductive Effect

Molecular Formula

  • C68-H89-N15-O14.3/2Cl-H.4H2-O

Molecular Weight

  • 2934.5853
 
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Names and Synonyms

Results Name

  • BOC-(Ser(Bz1)-des-His2-D-Trp6)-LHRH

Synonyms

  • BOC-(Ser(Bz1)(sup 1)-des-His(sup 2)-D-Trp(sup 6))-LHRH hydrochloride hydrate (2:3:8)
  • BOC-(Ser(Bz1)-des-His2-D-Trp6)-LHRH HCl H2O (2:3:8)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 63889-45-2

System Generated Number

  • 0063889452

Molecular Formulas

Molecular Formula

  • C68-H89-N15-O14.3/2Cl-H.4H2-O

Molecular Formula Fragments

  • C68-H89-N15-O14
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C68H89N15O14.3ClH.8H2O/c2*1-39(2)29-50(58(87)76-49(21-13-27-72-66(70)71)65(94)83-28-14-22-56(83)64(93)75-35-57(69)86)77-60(89)52(31-42-33-73-47-19-11-9-17-45(42)47)79-59(88)51(30-40-23-25-44(85)26-24-40)78-62(91)54(36-84)81-61(90)53(32-43-34-74-48-20-12-10-18-46(43)48)80-63(92)55(82-67(95)97-68(3,4)5)38-96-37-41-15-7-6-8-16-41;;;;;;;;;;;/h2*6-12,15-20,23-26,33-34,39,49-56,73-74,84-85H,13-14,21-22,27-32,35-38H2,1-5H3,(H2,69,86)(H,75,93)(H,76,87)(H,77,89)(H,78,91)(H,79,88)(H,80,92)(H,81,90)(H,82,95)(H4,70,71,72);3*1H;8*1H2/t2*49-,50-,51-,52+,53-,54-,55-,56-;;;;;;;;;;;/m00.........../s1

InChIKey

OKVCCMXZXDYRRO-URDANULDSA-N

Smiles

O.O.O.O.O.O.O.O.Cl.Cl.Cl.CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](COCc6ccccc6)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N7CCC[C@H]7C(=O)NCC(=O)N.CC(C)C[C@H](NC(=O)[C@@H](Cc8c[nH]c9ccccc89)NC(=O)[C@H](Cc%10ccc(O)cc%10)NC(=O)[C@H](CO)NC(=O)[C@H](Cc%11c[nH]c%12ccccc%11%12)NC(=O)[C@H](COCc%13ccccc%13)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N%14CCC[C@H]%14C(=O)NCC(=O)N