CAS
51581-15-8 Purity
96%
51581-15-8 Purity
96%
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Voclosporin
CAS
515814-01-4
Catalog Number
ACM515814014
Category
Other Products
Molecular Weight
1214.62
Molecular Formula
C63H111N11O12
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Specification
Synonyms
6-[(2S,3R,4R,6E)-3-Hydroxy-4-methyl-2-(methylamino)-6,8-nonadienoic acid]cyclosporin A; ISATX 247; R 1524; trans-ISA 247;
IUPAC Name
(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-2,5,8,1
Canonical SMILES
CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC=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
InChI Key
BICRTLVBTLFLRD-PTWUADNWSA-N
Exact Mass
1213.84000
H-Bond Acceptor
12
H-Bond Donor
5
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