Isocyclosporin D

6,9,18,24-tetratert-butyl-34-[(E)-hex-4-en-2-yl]-4,7,10,12,15,19,25,28-octamethyl-33-(methylamino)-3,21,30-tri(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

Also Known As: Isocyclosporin D|6,9,18,24-tetratert-butyl-34-[(E)-hex-4-en-2-yl]-4,7,10,12,15,19,25,28-octamethyl-33-(methylamino)-3,21,30-tri(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

Molecular Formula	C63H113N11O12
Molecular Weight	1215.857 g/mol
LogP	3.8269
Topological Polar Surface Area	276.59 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	13
Rotatable Bonds	7
Exact Mass	1215.857
Monoisotopic Mass	1215.857
Heavy Atoms	86
Complexity	2451.4907

Chemical Identifiers

CAS Number	63775-93-9
SMILES	C/C=C/CC(C)C1C(C(=O)NC(C(=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)O1)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(C)(C)C)C)C)C(C)C)NC