26496N541O | CAS No. 63798-73-2

26496N541O

Basic Information

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CAS Number

63798-73-2

Molecular Formula

C61H109N11O12

Molecular Weight

1188.61 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

1306.2±65.0 °C(Predicted)

Density

1.017±0.06 g/cm3(Predicted)

SMILES

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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)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/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)43(28-33(3)4)54(77)65-48(37(11)12)60(83)70(21)44(29-34(5)6)53(76)62-40(16)52(75)63-41(17)57(80)71(22)46(31-36(9)10)59(82)69(20)45(30-35(7)8)55(78)66-49(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

SYXYUKMELXLDBD-WKHWYDSQSA-N

LogP

2.9268000000000027

pKa

13.38±0.70(Predicted)

Topological Polar Surface Area

287.59 Å²

Hydrogen Bond Donor/Acceptor

6 / 23

Complexity

2290

Synonyms & References

English

(3R,4R)-3-Hydroxy-N-methyl-5-[(E)-1-propenyl]cyclo(L-Leu-L-Abu-Sar-N-methyl-L-Leu-L-Val-N-methyl-L-Leu-L-Ala-D-Ala-N-methyl-L-Leu-N-methyl-L-Leu-L-Val-)
Cyclosporin A, 5-L-valine-
Cyclosporine
Cyclosporin E
26496N541O
Cyclosporin E, (-)-
Cyclosporin E (C097)
Cyclo(L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-L-valyl-(3R,4R,6E)-6,7-didehydro-3-hydroxy-N,4-dimethyl-L-2-aminooctanoyl-L-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl
Q27254040
CID 90478790