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Substance Name: tert-Butyloxycarbonylphenylalanyl-phenylalanyl-phenylalanyl-phenylalanyl-phenylalanyl-phenylalanyl-phenylalanyl-phenylalanine methyl ester
RN: 123218-80-4
InChIKey: YFCOYYDBFABBNN-JZROATSGSA-N

Molecular Formula

  • C78-H84-N8-O11

Molecular Weight

  • 1309.5666
 
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Names and Synonyms

Name of Substance

  • tert-Butyloxycarbonylphenylalanyl-phenylalanyl-phenylalanyl-phenylalanyl-phenylalanyl-phenylalanyl-phenylalanyl-phenylalanine methyl ester

Synonym

  • Boc-(phe-phe)4-och3

Systematic Name

  • D-Phenylalanine, N-(N-(N-(N-(N-(N-(N-(N-((1,1-dimethylethoxy)carbonyl)-L-phenylalanyl)-D-phenylalanyl)-L-phenylalanyl)-D-phenylalanyl)-L-phenylalanyl)-D-phenylalanyl)-L-phenylalanyl)-, methyl ester

Registry Numbers

CAS Registry Number

  • 123218-80-4

System Generated Number

  • 0123218804

Structure Descriptors

InChI

1S/C78H84N8O11/c1-78(2,3)97-77(95)86-67(51-59-41-25-11-26-42-59)75(93)84-65(49-57-37-21-9-22-38-57)73(91)82-63(47-55-33-17-7-18-34-55)71(89)80-61(45-53-29-13-5-14-30-53)69(87)79-62(46-54-31-15-6-16-32-54)70(88)81-64(48-56-35-19-8-20-36-56)72(90)83-66(50-58-39-23-10-24-40-58)74(92)85-68(76(94)96-4)52-60-43-27-12-28-44-60/h5-44,61-68H,45-52H2,1-4H3,(H,79,87)(H,80,89)(H,81,88)(H,82,91)(H,83,90)(H,84,93)(H,85,92)(H,86,95)/t61-,62+,63+,64-,65-,66+,67+,68-/m1/s1

InChIKey

YFCOYYDBFABBNN-JZROATSGSA-N

Smiles

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc4ccccc4)C(=O)N[C@@H](Cc5ccccc5)C(=O)N[C@H](Cc6ccccc6)C(=O)N[C@@H](Cc7ccccc7)C(=O)N[C@H](Cc8ccccc8)C(=O)OC