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Substance Name: L-Prolinamide, N-((phenylmethoxy)carbonyl)-O-((phenylmethyl)-L-seryl-L-tryptophyl-L-seryl-L-tyrosyl-O-methyl-D-tyrosyl-L-leucyl-L-arginyl-N-ethyl-, monoacetate (salt), dihydrate
RN: 70601-68-2
InChIKey: JDTLNCVVFYRZIZ-YJNZVVFCSA-N

Classification Codes

  • Hormone
  • Reproductive Effect

Molecular Formula

  • C70-H89-N13-O14.C2-H4-O2.2H2-O

Molecular Weight

  • 1396.6017
 
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Names and Synonyms

  • L-Prolinamide, N-((phenylmethoxy)carbonyl)-O-((phenylmethyl)-L-seryl-L-tryptophyl-L-seryl-L-tyrosyl-O-methyl-D-tyrosyl-L-leucyl-L-arginyl-N-ethyl-, monoacetate (salt), dihydrate

Registry Numbers

CAS Registry Number

  • 70601-68-2

System Generated Number

  • 0070601682

Molecular Formulas

Molecular Formula

  • C70-H89-N13-O14.C2-H4-O2.2H2-O

Molecular Formula Fragments

  • C2-H4-O2
  • C70-H89-N13-O14
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C70H89N13O14.C2H4O2/c1-5-82-33-15-23-60(82)68(93)83(66(91)54(22-14-32-74-69(72)73)76-62(87)55(34-43(2)3)77-61(86)52(71)35-44-24-28-49(95-4)29-25-44)67(92)57(36-45-26-30-50(31-27-45)96-41-46-16-8-6-9-17-46)79-64(89)58(39-84)80-63(88)56(37-48-38-75-53-21-13-12-20-51(48)53)78-65(90)59(40-85)81-70(94)97-42-47-18-10-7-11-19-47;1-2(3)4/h6-13,16-21,24-31,38,43,52,54-60,75,84-85H,5,14-15,22-23,32-37,39-42,71H2,1-4H3,(H,76,87)(H,77,86)(H,78,90)(H,79,89)(H,80,88)(H,81,94)(H4,72,73,74);1H3,(H,3,4)/t52-,54+,55+,56+,57+,58+,59+,60+;/m1./s1

InChIKey

JDTLNCVVFYRZIZ-YJNZVVFCSA-N

Smiles

CCN1CCC[C@H]1C(=O)N(C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccc(cc2)OC)N)C(=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