Cas no 54987-63-2 (Cyclo(N-methyl-L-alanyl-L-leucyl-N-methyl-D-phenylalanylglycyl)(9CI))
54987-63-2 structure
Product Name:Cyclo(N-methyl-L-alanyl-L-leucyl-N-methyl-D-phenylalanylglycyl)(9CI)
CAS No:54987-63-2
MF:C22H32N4O4
MW:416.513885498047
CID:367760
PubChem ID:3036979
Update Time:2025-04-19
Cyclo(N-methyl-L-alanyl-L-leucyl-N-methyl-D-phenylalanylglycyl)(9CI) Chemical and Physical Properties
Names and Identifiers
-
- Cyclo(N-methyl-L-alanyl-L-leucyl-N-methyl-D-phenylalanylglycyl)(9CI)
- (2S)-4-methyl-N-[(2R)-2-(methylamino)-3-phenylpropanoyl]-2-[[(2S)-2-(methylamino)propanoyl]amino]-N-(2-oxoethyl)pent-4-enamide
- dihydrotentoxin
- 1,4,7,10-Tetraazacyclododecane-2,5,8,11-tetrone, 3-butyl-1,6,7-trimethyl-12-(phenylmethylene)-, (3S-(3R*,6R*,12E))-
- 54987-63-2
- Cyclo(N-methyl-ala-leu-N-methyl-phe-gly)
- DTXSID00203519
- Cyclo(N-methyl-alanyl-leucyl-N-methyl-phenylalanyl-glycyl)
-
- Inchi： 1S/C22H32N4O4/c1-15(2)13-19(25-20(28)16(3)23-4)22(30)26(11-12-27)21(29)18(24-5)14-17-9-7-6-8-10-17/h6-10,12,16,18-19,23-24H,1,11,13-14H2,2-5H3,(H,25,28)/t16-,18+,19-/m0/s1
- InChI Key： KMJMUFMAMDFUQZ-UHOSZYNNSA-N
- SMILES： O=C([C@H](CC(=C)C)NC([C@H](C)NC)=O)N(CC=O)C([C@@H](CC1C=CC=CC=1)NC)=O
Computed Properties
- Exact Mass: 416.24256
- Monoisotopic Mass: 416.242356
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 30
- Rotatable Bond Count: 12
- Complexity: 616
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 108
- XLogP3: 1.7
Experimental Properties
- Density: 1.12
- Boiling Point: 612.8°C at 760 mmHg
- Flash Point: 324.4°C
- Refractive Index: 1.53
- PSA: 107.61
Cyclo(N-methyl-L-alanyl-L-leucyl-N-methyl-D-phenylalanylglycyl)(9CI) Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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4. Fe3O4/Au/Fe3O4 nanoflowers exhibiting tunable saturation magnetization and enhanced bioconjugationFeng Shi,Kunping Yan,Mingli Peng,Xiao Cheng,Yanling Luo,Xuemei Chen,V. A. L. Roy,Zuankai Wang Nanoscale, 2012,4, 747-751
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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