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Substance Name: CDR2.AME(45-50)
RN: 174490-49-4
InChIKey: OYERTRYXMHYFQW-VQAKXNOLSA-N

Molecular Formula

  • C50-H74-N12-O14-S2

Molecular Weight

  • 1131.3366
 
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Names and Synonyms

Results Name

  • CDR2.AME(45-50)

Synonyms

  • CDR2.AME(45-50)
  • FCTKGPSKCY (Cyclized/Cysteine-oxidized)

Systematic Name

  • L-Tyrosine, L-phenylalanyl-L-cysteinyl-L-threonyl-L-lysylglycyl-L-prolyl-L-seryl-L-lysyl-L-cysteinyl-, cyclic (2-9)-disulfide

Registry Numbers

CAS Registry Number

  • 174490-49-4

System Generated Number

  • 0174490494

Structure Descriptors

InChI

1S/C50H74N12O14S2/c1-28(64)41-49(74)56-33(12-5-7-19-51)43(68)54-24-40(66)62-21-9-14-39(62)48(73)58-36(25-63)45(70)55-34(13-6-8-20-52)44(69)60-37(46(71)57-35(50(75)76)23-30-15-17-31(65)18-16-30)26-77-78-27-38(47(72)61-41)59-42(67)32(53)22-29-10-3-2-4-11-29/h2-4,10-11,15-18,28,32-39,41,63-65H,5-9,12-14,19-27,51-53H2,1H3,(H,54,68)(H,55,70)(H,56,74)(H,57,71)(H,58,73)(H,59,67)(H,60,69)(H,61,72)(H,75,76)/t28-,32+,33+,34+,35+,36+,37+,38+,39-,41+/m1/s1

InChIKey

OYERTRYXMHYFQW-VQAKXNOLSA-N

Smiles

C[C@H]([C@H]1C(=O)N[C@H](C(=O)NCC(=O)N2CCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N1)NC(=O)[C@H](Cc3ccccc3)N)C(=O)N[C@@H](Cc4ccc(cc4)O)C(=O)O)CCCCN)CO)CCCCN)O