Chemical Compound

Isocyclosporin A

CAS Registry Number 59865-16-6
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Isocyclosporin A chemical structure
Primary Record

Isocyclosporin A

In stock
6,905 g
Purity
98.2 %
CAS
59865-16-6

Compound Identifiers & Properties

CAS
59865-16-6
PubChem CID
101607771
SMILES
CC[C@H]1C(=O)N(CC(=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)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC)[C@H](C)C/C=C/C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C
Canonical SMILES
C/C=C/C[C@@H](C)[C@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC(=O)[C@H]1NC

Names & Synonyms

  • Isocyclosporin A
  • Iso Cyclosporin A
  • Iso Cyclosporine A
  • Cyclosporin A Isomer
  • Ciclosporin Impurity C
  • D4EJ3HCY2A
  • RefChem:149242
  • 59865-16-6
  • orb1705972
  • CHEMBL4560592
  • GLXC-10772
  • BBF-05766
  • Ciclosporin Impurity C [EP impurity]
  • C62-H111-N11-O12
  • HY-129072
  • CS-0103449
  • (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S,34R)-30-Ethyl-34-[(E,2R)-hex-4-en-2-yl]-4,7,10,12,15,19,25,28-octamethyl-33-(methylamino)-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1-oxa-4,7,10,13,16,19,22,25,28,31-decazacyclotetratriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
  • (2S,3R,4R,6E)-3-Hydroxy-4-methyl-2-(methylamino)-6-octenoyl-(2S)-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valine (111)-Lactone
  • [2S-(2R*,3S*,4S*,6E)]-N-[3-Hydroxy-4-methyl-2-(methylamino)-1-oxo-6-octenyl]-L-alpha-aminobutyryl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valine theta;1-lactone
  • 806-473-7
  • Isociclosporin A; (2S,3R,4R,6E)-3-Hydroxy-4-methyl-2-(methylamino)-6-octenoyl-(2S)-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valine (11->1)-lactone; Isocyclosporin A; 1-Oxa-4,7,10,13,16,19,22,25,28,31-decaazacyclotetratriacontane, cyclic peptide deriv.; [2S-(2R*,3S*,4S*,6E)]-N-[3-Hydroxy-4-methyl-2-(methylamino)-1-oxo-6-octenyl]-L-alpha-aminobutyryl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valine sigma1-lactone
  • L-Valine, (2S,3R,4R,6E)-3-hydroxy-4-methyl-2-(methylamino)-6-octenoyl-(2S)-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-, (11-->1)-lactone
  • L-Valine, (2S,3R,4R,6E)-3-hydroxy-4-methyl-2-(methylamino)-6-octenoyl-(2S)-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L?leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-, (11 inverted exclamation marku1)-lactone; (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S,34R)-30-ethyl-34-((R,E)-hex-4-en-2-yl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-4,7,10,12,15,19,25,28-octamethyl-33-(methylamino)-1-oxa-4,7,10,13,16,19,22,25,28,31-decaazacyclotetratriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone
  • O3.1,11-anhydro[(2S,3R,4R,6E)-3-hydroxy-4-methyl-2-(methylamino)oct-6-enoyl-(2S)-2-aminobutanoyl-N-methylglycyl-N-methyl-l-leucyl-l-valyl-N-methyl-l-leucyl-l-alanyl-d-alanyl-N-methyl-l-leucyl-N-methyl-l-leucyl-N-methyl-l-valine]