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Substance Name: CDR2.AME(39-44)
RN: 187826-36-4
InChIKey: JBOCLVKPAPDZIX-JBRKIFEHSA-N

Molecular Formula

  • C53-H70-N12-O15-S2

Molecular Weight

  • 1179.337
 
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Names and Synonyms

Results Name

  • CDR2.AME(39-44)

Synonyms

  • CDR2.AME(39-44)
  • FCNQGSFLCY (Cyclized/Cysteine-oxidized)

Systematic Name

  • L-Tyrosine, L-phenylalanyl-L-cysteinyl-L-asparaginyl-L-glutaminylglycyl-L-seryl-L-phenylalanyl-L-leucyl-L-cysteinyl-, cyclic (2-9)-disulfide

Registry Numbers

CAS Registry Number

  • 187826-36-4

System Generated Number

  • 0187826364

Structure Descriptors

InChI

1S/C53H70N12O15S2/c1-28(2)19-35-47(73)65-41(52(78)63-38(53(79)80)22-31-13-15-32(67)16-14-31)27-82-81-26-40(64-45(71)33(54)20-29-9-5-3-6-10-29)51(77)62-37(23-43(56)69)49(75)59-34(17-18-42(55)68)46(72)57-24-44(70)58-39(25-66)50(76)61-36(48(74)60-35)21-30-11-7-4-8-12-30/h3-16,28,33-41,66-67H,17-27,54H2,1-2H3,(H2,55,68)(H2,56,69)(H,57,72)(H,58,70)(H,59,75)(H,60,74)(H,61,76)(H,62,77)(H,63,78)(H,64,71)(H,65,73)(H,79,80)/t33-,34-,35-,36-,37-,38-,39-,40-,41-/m0/s1

InChIKey

JBOCLVKPAPDZIX-JBRKIFEHSA-N

Smiles

CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)NC(=O)[C@@H](N)Cc4ccccc4