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Voclosporin
Voclosporin / CAS : 515814-01-4
| Appearance | - | UN | - |
| HS | - | DG Class | - |
| Synonyms | Lupkynis; Luveniq; (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-Ethyl-33-[(1R,2R,4E)-1-Hydroxy-2-Methylhepta-4,6-Dienyl]-1,4,7,10,12,15,19,25,28-Nonamethyl-6,9,18,24-Tetrakis(2-Methylpropyl)-3,21-di(Propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-Undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-Undecone; Voclera; (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-Ethyl-33-((1R,2R,E)-1-Hydroxy-2-Methylhepta-4,6-dien-1-yl)-6,9,18,24-Tetraisobutyl-3,21-Diisopropyl-1,4,7,10,12,15,19,25,28-Nonamethyl-1,4,7,10,13,16,19,22,25,28,31-Undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-Undecaone; Cyclosporin A, 6-((2S,3R,4R)-3-Hydroxy-4-Methyl-2-(Methylamino)-6,8-Nonadienoic acid)-; (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-Ethyl-33-[(1R,2R,4E)-1-Hydroxy-2-Methylhepta-4,6-dien-1-yl]-1,4,7,10,12,15,19,25,28-Nonamethyl-6,9,18,24-Tetrakis(2-Methylpropyl)-3,21-bis(Propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-Undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-Undecone; 1,11-Anhydro[L-Alanyl-D-Alanyl-N-Methyl-L-Leucyl-N-Methyl-L-Leucyl- N-Methyl-L-Valyl-[(2S,3R,4R,6E)-3-Hydroxy-4-Methyl- 2-(Methylamino)nona-6,8-Dienoyl][(2S)-2-Aminobutanoyl]- N-Methylglycyl-N-Methyl-L-Leucyl-L-Valyl-N-Methyl-L-Leucine]; Cyclo (((E,Z)-(2S,3R,4R)-3-Hydroxy-4-Methyl-2-(Methylamino)NONA-6,8-Dienoyl)-L-2-Aminobytyrl-N-Methyl-Glycyl-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-Valyl); Cyclo(L-Alanyl-D-Alanyl-N-Methyl-L-Leucyl-N-Methyl-L-Leucyl-N-Methyl-L-Valyl- ((2S,3R,4R,6E)-3-Hydroxy-4-Methyl-2-(Methylamino)NONA-6,8-Dienoyl)-(2S)-2- Aminobutanoyl-N-Methylglycyl-N-Methyl-L-Leucyl-L-Valyl-N-Methyl-L-Leucyl); Cyclosporin A, 6-((2S,3R,4R,6E)-3-Hydroxy-4-Methyl-2-(Methylamino)-6,8- Nonadienoic ACID)- | ||
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RFQ
Properties
Summary
Formula
C63H111N11O12
Molecular Mass
1214.62000
Exact Mass
1213.84000
PSA
278.80000
Logp
4.31560
IUPAC
(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methylhepta-4,6-dienyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
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)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C=C)O)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
Attribute classification
Matter Classification
organic
Category
API & Intermediate > Inhibitors
Chemical and Physical Properties
Density
1.016±0.06 g/cm3(Predicted)
Boiling Point
1303.8±65.0 °C(Predicted)
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