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Cyclosporin T

CAT: 1299-RM-C191622-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C191622-01Size:10 mg
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CAS Number
108027-44-7
Synonyms
(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S) -30-ethyl-33- ((1R,2R, E) -1-hydroxy-2-methylhex-4-en-1-yl) -6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,10,12,15,19,25,28-octamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone
Molecular Formula
C61H109N11O12
Molecular Weight
1188.61
Target Alternative Name
Cyclosporin
Product Name Synonym
(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S) -30-ethyl-33- ((1R,2R, E) -1-hydroxy-2-methylhex-4-en-1-yl) -6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,10,12,15,19,25,28-octamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone

Chemical Information

Cyclosporin T

Cyclosporin T has been reported in Trichoderma polysporum with data available.

CAS Number108027-44-7
PubChem CID101607770
IUPAC Name(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,10,12,15,19,25,28-octamethyl-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
Molecular FormulaC61H109N11O12
Molecular Weight1188.6
XLogP7.3
Topological Polar Surface Area288
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count15
Heavy Atom Count84
Formal Charge0
Complexity2290
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)O)C)C(C)C)C)CC(C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C
InChI
InChI=1S/C61H109N11O12/c1-24-26-27-39(15)51(74)50-56(79)64-42(25-2)58(81)67(18)32-47(73)68(19)44(29-34(5)6)55(78)66-48(37(11)12)60(83)70(21)45(30-35(7)8)53(76)62-40(16)52(75)63-41(17)57(80)69(20)46(31-36(9)10)54(77)65-43(28-33(3)4)59(82)71(22)49(38(13)14)61(84)72(50)23/h24,26,33-46,48-51,74H,25,27-32H2,1-23H3,(H,62,76)(H,63,75)(H,64,79)(H,65,77)(H,66,78)/b26-24+/t39-,40+,41-,42+,43+,44+,45+,46+,48+,49+,50+,51-/m1/s1
InChIKey
NPEONIHYDZZZGH-WKHWYDSQSA-N
Chemical Structure
2D Structure
2D structure of Cyclosporin T
CAS: 108027-44-7
CID: 101607770
Formula: C61H109N11O12
MW: 1188.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1188.6
XLogP37.3
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count15
Exact Mass1187.82571795
Monoisotopic Mass1187.82571795
Topological Polar Surface Area288 Ų
Heavy Atom Count84
Formal Charge0
Complexity2290
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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