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Substance Name: L-Prolinamide, N-((phenylmethoxy)carbonyl)-O-(phenylmethyl)-L-seryl-L-tryptophyl-L-seryl-L-tyrosyl-2,3,4,5,6-pentamethyl-DL-phenylalanyl-L-leucyl-L-arginyl-N-ethyl-, monoacetate (salt),dihydrate
RN: 70601-60-4
InChIKey: XZNOAJGEIWJQLM-HNGUDNSJSA-N

Classification Codes

  • Hormone
  • Reproductive Effect

Molecular Formula

  • C74-H97-N13-O13.C2-H4-O2.2H2-O

Molecular Weight

  • 1436.7099
 
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Names and Synonyms

  • L-Prolinamide, N-((phenylmethoxy)carbonyl)-O-(phenylmethyl)-L-seryl-L-tryptophyl-L-seryl-L-tyrosyl-2,3,4,5,6-pentamethyl-DL-phenylalanyl-L-leucyl-L-arginyl-N-ethyl-, monoacetate (salt),dihydrate

Registry Numbers

CAS Registry Number

  • 70601-60-4

System Generated Number

  • 0070601604

Molecular Formulas

Molecular Formula

  • C74-H97-N13-O13.C2-H4-O2.2H2-O

Molecular Formula Fragments

  • C2-H4-O2
  • C74-H97-N13-O13
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C74H97N13O13.C2H4O2/c1-9-86-33-19-27-64(86)72(97)87(70(95)58(26-18-32-78-73(76)77)80-66(91)59(34-43(2)3)81-65(90)56(75)37-55-47(7)45(5)44(4)46(6)48(55)8)71(96)61(35-49-28-30-53(31-29-49)99-41-50-20-12-10-13-21-50)83-68(93)62(39-88)84-67(92)60(36-52-38-79-57-25-17-16-24-54(52)57)82-69(94)63(40-89)85-74(98)100-42-51-22-14-11-15-23-51;1-2(3)4/h10-17,20-25,28-31,38,43,56,58-64,79,88-89H,9,18-19,26-27,32-37,39-42,75H2,1-8H3,(H,80,91)(H,81,90)(H,82,94)(H,83,93)(H,84,92)(H,85,98)(H4,76,77,78);1H3,(H,3,4)/t56-,58-,59-,60-,61-,62-,63-,64?;/m0./s1

InChIKey

XZNOAJGEIWJQLM-HNGUDNSJSA-N

Smiles

CCN1CCCC1C(=O)N(C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c(c(c(c(c2C)C)C)C)C)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