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Substance Name: Cyclo(ala-phe-trp-lys-val-phe)
RN: 156586-93-5
InChIKey: QPXCNWUMSXMCKP-KVAXFTCXSA-N

Note

  • Used to measure COSY-type spectra.

Molecular Weight

  • 778.95
 
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Names and Synonyms

Name of Substance

  • Cyclo(ala-phe-trp-lys-val-phe)

Synonym

  • Cyclo(aptlvp)

Registry Numbers

CAS Registry Number

  • 156586-93-5

System Generated Number

  • 0156586935

Structure Descriptors

InChI

1S/C43H54N8O6/c1-27(2)38(43(57)47-32(26-52)22-29-14-6-4-7-15-29)51-40(54)35(20-12-13-21-44)48-42(56)37(24-31-25-46-34-19-11-10-18-33(31)34)50-41(55)36(49-39(53)28(3)45)23-30-16-8-5-9-17-30/h4-19,25-28,32,35-38,46H,20-24,44-45H2,1-3H3,(H,47,57)(H,48,56)(H,49,53)(H,50,55)(H,51,54)/b13-12+/t28-,32+,35+,36+,37+,38+/m1/s1

InChIKey

QPXCNWUMSXMCKP-KVAXFTCXSA-N

Smiles

C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](N)C)=O)Cc1ccccc1)=O)Cc1c[nH]c2ccccc12)=O)C\C=C\CN)=O)C(C)C)=O)Cc1ccccc1)=O