Cyclosporine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 2608
Total Number of Articles : 7742
PubChem 123134263
Molecular Formula

C62H111N11O12

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)NC(C(=O)N([C@@H](C(=O)N([C@@H](C(=O)N([C@@H](C(=O)N(C(C(=O)N1)C([C@@H](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

InChI

InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42?,43+,44+,45+,46+,47+,49+,50+,51?,52?/m0/s1

synonyms
  • cyclosporine
  • 59865-13-3
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Properties
Property Value
MW 1202.6 g/mol
HBD 5
HBA 12
Rotatable Bond Count 15
Exact Mass 1201.84136802 g/mol
Monoisotopic Mass 1201.84136802 g/mol
Heavy Atom Count 85
Isotope Atom Count 0
Atom Stereo Count 12
Covalent Unit Count 1
Complexity 2330
xlogp 7.5
Topological Polar Surface Area 279