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Substance Name: L-Prolinamide, N-((phenylmethoxy)carbonyl)-O-(phenylmethyl)-L-seryl-L-tryptophyl-L-seryl-L-tyrosyl-D-phenylalanyl-L-leucyl-L-arginyl-N,N-dimethyl-, monoacetate (salt), hydrate
RN: 71033-52-8
InChIKey: MFWNQIKCBQYNHK-IIQNFQLGSA-N

Classification Codes

  • Hormone
  • Reproductive Effect

Molecular Formula

  • C69-H87-N13-O13.C2-H4-O2.H2-O

Molecular Weight

  • 1366.5759
 
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Names and Synonyms

  • L-Prolinamide, N-((phenylmethoxy)carbonyl)-O-(phenylmethyl)-L-seryl-L-tryptophyl-L-seryl-L-tyrosyl-D-phenylalanyl-L-leucyl-L-arginyl-N,N-dimethyl-, monoacetate (salt), hydrate

Registry Numbers

CAS Registry Number

  • 71033-52-8

System Generated Number

  • 0071033528

Molecular Formulas

Molecular Formula

  • C69-H87-N13-O13.C2-H4-O2.H2-O

Molecular Formula Fragments

  • C2-H4-O2
  • C69-H87-N13-O13
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C69H87N13O13.C2H4O2/c1-43(2)34-53(60(85)74-52(26-16-32-72-68(70)71)66(91)82(4)67(92)59-27-17-33-81(59)3)75-61(86)54(35-44-18-8-5-9-19-44)76-62(87)55(36-45-28-30-49(31-29-45)94-41-46-20-10-6-11-21-46)77-64(89)57(39-83)79-63(88)56(37-48-38-73-51-25-15-14-24-50(48)51)78-65(90)58(40-84)80-69(93)95-42-47-22-12-7-13-23-47;1-2(3)4/h5-15,18-25,28-31,38,43,52-59,73,83-84H,16-17,26-27,32-37,39-42H2,1-4H3,(H,74,85)(H,75,86)(H,76,87)(H,77,89)(H,78,90)(H,79,88)(H,80,93)(H4,70,71,72);1H3,(H,3,4)/t52-,53-,54+,55-,56-,57-,58-,59-;/m0./s1

InChIKey

MFWNQIKCBQYNHK-IIQNFQLGSA-N

Smiles

CC(C)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)C(=O)[C@@H]1CCCN1C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc3ccc(cc3)OCc4ccccc4)NC(=O)[C@H](CO)NC(=O)[C@H](Cc5c[nH]c6c5cccc6)NC(=O)[C@H](CO)NC(=O)OCc7ccccc7.CC(=O)O