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Substance Name: Cyclo-cadagac
RN: 143084-70-2
InChIKey: UDZHUQMVVWWJPN-MMPMNOHVSA-N

Note

  • Cyclic heptapeptide.

Molecular Formula

  • C33-H45-N9-O12-S3

Molecular Weight

  • 855.9675
 
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Names and Synonyms

Results Name

  • Cyclo-cadagac

Name of Substance

  • Cyclo(N-acetylcysteinyl-asparaginyl-dimethylthioprolyl-(4-aminomethyl)phenylalanyl-glycyl-aspartyl-cysteine)

Synonyms

  • Cyclo(accys-asn-dtc-amf-gly-asp-cysoh)
  • Cyclo(N-acetylcysteinyl-asparaginyl-(beta,beta-dimethyl)thioprolyl-(p-aminomethyl)phenylalanyl-glycyl-aspartyl-cysteine)
  • Cyclo-cadagac
  • N-Acetyl-L-cysteinyl-L-asparaginyl-5,5-dimethyl-D-4-thiazolidinecarbonyl-4-amino-L-phenylanylglycyl-L-alpha-aspartyl-L-cysteine cyclic(1-7)-disulfide

Systematic Name

  • L-Cysteine, N-acetyl-L-cysteinyl-L-asparaginyl-5,5-dimethyl-D-4-thiazolidinecarbonyl-4-amino-L-phenylanylglycyl-L-alpha-aspartyl-, cyclic(1-7)-disulfide

Registry Numbers

CAS Registry Number

  • 143084-70-2

System Generated Number

  • 0143084702

Structure Descriptors

InChI

1S/C33H45N9O12S3/c1-15(43)39-20(13-55)27(50)41-18(9-22(35)44)29(51)42(21(14-56)31(53)54)30(52)19(10-24(46)47)40-23(45)12-38-26(49)17(34)8-16-4-5-33(36,32(2,3)11-16)25(48)28-37-6-7-57-28/h4-5,11-12,14,17-21,28,37,55H,6-10,13,34,36H2,1-3H3,(H2,35,44)(H,39,43)(H,40,45)(H,41,50)(H,46,47)(H,53,54)/b38-12+/t17-,18-,19-,20-,21-,28?,33?/m0/s1

InChIKey

UDZHUQMVVWWJPN-MMPMNOHVSA-N

Smiles

CC(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)N)C(=O)N([C@@H](C=S)C(=O)O)C(=O)[C@H](CC(=O)O)NC(=O)/C=N/C(=O)[C@H](CC1=CC(C(C=C1)(C(=O)C2NCCS2)N)(C)C)N