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Substance Name: Phe-cys-phe-trp-lys-thr-pen-thr-NH2
RN: 96384-04-2
InChIKey: IFHAVLFAXKHCNP-UHFFFAOYSA-N

Molecular Formula

  • C51-H69-N11-O10-S2

Molecular Weight

  • 1060.31
 
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Names and Synonyms

Name of Substance

  • Phe-cys-phe-trp-lys-thr-pen-thr-NH2

Synonyms

  • C2P7
  • Phe-cys-phe-trp-lys-thr-pen-thrnh2
  • Phenylalanyl-cysteinyl-phenylalanyl-tryptophyl-lysyl-threonyl-penicillamine-threoninamide

Systematic Name

  • L-Threoninamide, D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-3-mercapto-D-valyl-, cyclic (2-7)-disulfide

Registry Numbers

CAS Registry Number

  • 96384-04-2

System Generated Number

  • 0096384042

Structure Descriptors

InChI

1S/C51H69N11O10S2/c1-28(63)40(43(54)65)60-50(72)42-51(3,4)74-73-27-39(59-44(66)34(53)23-30-15-7-5-8-16-30)48(70)57-37(24-31-17-9-6-10-18-31)46(68)58-38(26-33-25-32-19-11-12-20-35(32)55-33)47(69)56-36(21-13-14-22-52)45(67)61-41(29(2)64)49(71)62-42/h5-12,15-20,25,28-29,34,36-42,55,63-64H,13-14,21-24,26-27,52-53H2,1-4H3,(H2,54,65)(H,56,69)(H,57,70)(H,58,68)(H,59,66)(H,60,72)(H,61,67)(H,62,71)

InChIKey

IFHAVLFAXKHCNP-UHFFFAOYSA-N

Smiles

c1c([nH]c2c1cccc2)C[C@@H]1NC([C@@H](NC([C@@H](CSSC([C@@H](C(N[C@@H]([C@@H](O)C)C(N)=O)=O)NC([C@@H]([C@@H](O)C)NC([C@@H](CCCCN)NC1=O)=O)=O)(C)C)NC(=O)[C@@H](Cc1ccccc1)N)=O)Cc1ccccc1)=O