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Substance Name: CDR2.AME(50-55)
RN: 176434-88-1
InChIKey: KDCQLXAJOPNPCJ-VBPHXLSFSA-N

Molecular Formula

  • C53-H79-N15-O15-S2

Molecular Weight

  • 1230.4291
 
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Names and Synonyms

Results Name

  • CDR2.AME(50-55)

Synonyms

  • CDR2.AME(50-55)
  • FCKLNDRACY (Cyclized/Cysteine-oxidized)

Systematic Name

  • L-Tyrosine, L-phenylalanyl-L-cysteinyl-L-lysyl-L-leucyl-L-asparaginyl-L-alpha-aspartyl-L-arginyl-L-alanyl-L-cysteinyl-, cyclic (2-9)-disulfide

Registry Numbers

CAS Registry Number

  • 176434-88-1

System Generated Number

  • 0176434881

Structure Descriptors

InChI

1S/C53H79N15O15S2/c1-27(2)20-35-47(77)64-36(23-41(56)70)48(78)65-37(24-42(71)72)49(79)61-34(13-9-19-59-53(57)58)45(75)60-28(3)43(73)67-39(51(81)66-38(52(82)83)22-30-14-16-31(69)17-15-30)25-84-85-26-40(50(80)62-33(46(76)63-35)12-7-8-18-54)68-44(74)32(55)21-29-10-5-4-6-11-29/h4-6,10-11,14-17,27-28,32-40,69H,7-9,12-13,18-26,54-55H2,1-3H3,(H2,56,70)(H,60,75)(H,61,79)(H,62,80)(H,63,76)(H,64,77)(H,65,78)(H,66,81)(H,67,73)(H,68,74)(H,71,72)(H,82,83)(H4,57,58,59)/t28-,32-,33-,34-,35-,36-,37-,38-,39-,40-/m0/s1

InChIKey

KDCQLXAJOPNPCJ-VBPHXLSFSA-N

Smiles

C[C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCNC(=N)N)CC(=O)O)CC(=O)N)CC(C)C)CCCCN)NC(=O)[C@H](Cc2ccccc2)N)C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)O