Synonyms:

30-ethyl-34-[(Z)-hex-4-en-2-yl]-4,7,10,12,15,19,25,28-octamethyl-33-me thylamino-6,9,18 24-tetrakis (2-methylpropyl)-3,21-dipropan-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; isocyclosporin A; Cyclo[L-Abu-Sar-N-methyl-L-Leu-L-Val-N-methyl-L-Leu -L-Ala-D-Ala-N-methyl-L-Leu-N-methyl-L-Leu-N-methyl-L-Val-[(3R,4R)-3-hydroxy*-N-methyl-5 -[(E)-1-propenyl]-L-Leu-]];L-Valine, 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-, theta1-1actone, (2S-(2R*,3S*,4S*,6E))-;(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 theta1-lactone; Isocyclosporine impurity A; Cyclosporin impurity 9 (Isocyclosporin A)

Canonical SMILES:CCC1C(=O)N(CC(=O)N(C(C(=O))NC(C(=O)N(C(=O))NC(C(=O))NC(C(=O) ) N(C(C(=O)N1)C(C(=O)N(C(C(=O)O)C(C(=O)N1)NC)C(C)CC=CC)C (C)C)C(C)C(C)C)C(C)C)C(C)C)C)C)C)C)C (C)C)C(C)C)C

Ceev:1.13 ± 0.1g / cm3 (Tshaj tawm)

Boiling Point:1280.5 ± 65.0 ° C (Predicted)

Melting Point:148-152 ° C

Cia:-20 ° C Lub Freezer

PKA:13.42 ± 0.70 (Tshaj tawm)