Cas no 222527-67-5 (Cyclo(L-isoleucyl-S-oxido-L-methionyl-L-leucyl-L-valyl-L-phenylalanyl-L-prolyl-L-leucyl-L-phenylalanyl))
222527-67-5 structure
Product Name:Cyclo(L-isoleucyl-S-oxido-L-methionyl-L-leucyl-L-valyl-L-phenylalanyl-L-prolyl-L-leucyl-L-phenylalanyl)
CAS No:222527-67-5
MF:C51H76N8O9S
MW:977.262351989746
CID:275781
Update Time:2024-03-01
Cyclo(L-isoleucyl-S-oxido-L-methionyl-L-leucyl-L-valyl-L-phenylalanyl-L-prolyl-L-leucyl-L-phenylalanyl) Chemical and Physical Properties
Names and Identifiers
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- Cyclo(L-isoleucyl-S-oxido-L-methionyl-L-leucyl-L-valyl-L-phenylalanyl-L-prolyl-L-leucyl-L-phenylalanyl)
- Cyclo[(2S)-2-amino-4-(methylsulfinyl)butanoyl-L-leucyl-L-valyl-L-phenylalanyl-L-prolyl-L-leucyl-L-phenylalanyl-L-isoleucyl](9CI)
- Cyclolinopeptide E
- (-)-Cyclolinopeptide E
-
- Inchi： 1S/C51H76N8O9S/c1-10-33(8)43-50(66)52-36(23-25-69(9)68)44(60)53-38(27-31(4)5)46(62)57-42(32(6)7)49(65)56-40(29-35-20-15-12-16-21-35)51(67)59-24-17-22-41(59)48(64)55-37(26-30(2)3)45(61)54-39(47(63)58-43)28-34-18-13-11-14-19-34/h11-16,18-21,30-33,36-43H,10,17,22-29H2,1-9H3,(H,52,66)(H,53,60)(H,54,61)(H,55,64)(H,56,65)(H,57,62)(H,58,63)
- InChI Key： IWEUOAFIXUXUNB-UHFFFAOYSA-N
- SMILES： CCC(C1C(=O)NC(CCS(=O)C)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CC2C=CC=CC=2)C(=O)N2C(CCC2)C(=O)NC(CC(C)C)C(=O)NC(CC2C=CC=CC=2)C(=O)N1)C
Computed Properties
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 17
- Heavy Atom Count: 69
- XLogP3: 6.579
Experimental Properties
- Density: 1.23±0.1 g/cm3(Predicted)
- Boiling Point: 1282.9±65.0 °C(Predicted)
- pka: 12.91±0.70(Predicted)
Cyclo(L-isoleucyl-S-oxido-L-methionyl-L-leucyl-L-valyl-L-phenylalanyl-L-prolyl-L-leucyl-L-phenylalanyl) Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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