Dihydrocyclosporin D

(3S,6S,9S,12R,15S,18S,21S,24S,30S)-33-[(1R,2R)-1-hydroxy-2-methylhexyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21,30-tri(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

Also Known As: Dihydrocyclosporin D|2-Val-dihydrocyclosporin|Dihydrocyclosporin|Cyclosporin A der.|2-Valyl-dihydrocyclosporin|Dihydro Cyclosporin D|Dihydrocyclosporin, val(2)-|Cyclosporin, dihydro-2-valine-|MeBmt(6,7-dihydro)-1-Val-2-CsA|[MeBmt(6,7-dihydro)]1-[Val]2-Cyclosporin A|(3S,6S,9S,12R,15S,18S,21S,24S,30S)-33-[(1R,2R)-1-hydroxy-2-methylhexyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21,30-tri(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|6-[(2s,3r,4r)-3-hydroxy-4-methyl-2-(methylamino)octanoic acid]-cyclosporin d|Cyclosporin A, 6-((3R,4R)-3-hydroxy-N,4-dimethyl-L-2-aminooctanoic acid)-7-L-alanine-|Cyclosporin d,6-[(2S,3R,4R)-3-hydroxy-4-methyl-2-(methylamino)octanoic acid]-(9ci)|(3S,6S,9S,12R,15S,18S,21S,24S,30S)-33-[(1R,2R)-1-hydroxy-2-methyl-hexyl]-6,9,18,24-tetraisobutyl-3,21,30-triisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone|Cyclosporin A, 6-((R-(R*,R*))-3-hydroxy-N,4-dimethyl-L-2-aminooctanoic acid)-7-L-valine-

Molecular Formula	C63H115N11O12
Molecular Weight	1217.8727 g/mol
LogP	8.6
Topological Polar Surface Area	279.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	12
Rotatable Bonds	16
Exact Mass	1217.8727
Monoisotopic Mass	1217.8727
Heavy Atoms	86
Complexity	2310.0

Chemical Identifiers

CAS Number	63775-91-7
SMILES	CCCC[C@@H](C)[C@H](C1C(=O)N[C@H](C(=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)N1C)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)C(C)C)O
InChIKey	GEUKOOCPPICVTB-SMOCYEBVSA-N