Cas no 145569-96-6 (Cyclopropaneaceticacid,3-[[[2-[[6-(aminomethyl)-2-oxo-3-piperidinyl]amino]-1-(carboxymethyl)-2-oxoethyl]amino]carbonyl]-a,2-dichloro-2-(1-chloro-3-hydroxybutyl)-(9CI))
145569-96-6 structure
Product Name:Cyclopropaneaceticacid,3-[[[2-[[6-(aminomethyl)-2-oxo-3-piperidinyl]amino]-1-(carboxymethyl)-2-oxoethyl]amino]carbonyl]-a,2-dichloro-2-(1-chloro-3-hydroxybutyl)-(9CI)
CAS No:145569-96-6
MF:C20H29Cl3N4O8
MW:559.825262784958
CID:155824
PubChem ID:132731
Update Time:2025-04-19
Cyclopropaneaceticacid,3-[[[2-[[6-(aminomethyl)-2-oxo-3-piperidinyl]amino]-1-(carboxymethyl)-2-oxoethyl]amino]carbonyl]-a,2-dichloro-2-(1-chloro-3-hydroxybutyl)-(9CI) Chemical and Physical Properties
Names and Identifiers
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- Cyclopropaneaceticacid,3-[[[2-[[6-(aminomethyl)-2-oxo-3-piperidinyl]amino]-1-(carboxymethyl)-2-oxoethyl]amino]carbonyl]-a,2-dichloro-2-(1-chloro-3-hydroxybutyl)-(9CI)
- 4-[[6-(aminomethyl)-2-oxopiperidin-3-yl]amino]-3-[[3-[carboxy(chloro)methyl]-2-chloro-2-(1-chloro-3-hydroxybutyl)cyclopropanecarbonyl]amino]-4-oxobutanoic acid
- Cyclopropaneaceticacid,3-[[[2-[[6-(aminomethyl)-2-oxo-3-piperidinyl]amino]-1-(carboxymethyl)-2...
- Cyclopropaneaceticacid,3-[[[2-[[6-(aminomethyl)-2-oxo-3-piperidinyl]amino]-1-(carboxymethyl)-2-oxoethyl]amino]carbonyl]-a,2-d
- Cyclopropaneacetic acid, 3-(((2-((6-(aminomethyl)-2-oxo-3-piperidinyl)amino)-1-(carboxymethyl)-2-oxoethyl)amino)carbonyl)-alpha,2-dichloro-2-(1-chloro-3-hydroxybutyl)-
- N-[6-(aminomethyl)-2-oxopiperidin-3-yl]-N~2~-({3-[carboxy(chloro)methyl]-2-chloro-2-(1-chloro-3-hydroxybutyl)cyclopropyl}carbonyl)-alpha-asparagine
- Periconin B
- 4-{[6-(Aminomethyl)-2-hydroxy-3,4,5,6-tetrahydropyridin-3-yl]imino}-3-{[{3-[carboxy(chloro)methyl]-2-chloro-2-(1-chloro-3-hydroxybutyl)cyclopropyl}(hydroxy)methylidene]amino}-4-hydroxybutanoic acid
- DTXSID10932641
- 145569-96-6
-
- Inchi: 1S/C20H29Cl3N4O8/c1-7(28)4-11(21)20(23)13(15(22)19(34)35)14(20)18(33)27-10(5-12(29)30)17(32)26-9-3-2-8(6-24)25-16(9)31/h7-11,13-15,28H,2-6,24H2,1H3,(H,25,31)(H,26,32)(H,27,33)(H,29,30)(H,34,35)
- InChI Key: NDEFDECCUYZWKD-UHFFFAOYSA-N
- SMILES: ClC1(C(CC(C)O)Cl)C(C(NC(C(NC2C(NC(CN)CC2)=O)=O)CC(=O)O)=O)C1C(C(=O)O)Cl
Computed Properties
- Exact Mass: 558.105097g/mol
- Monoisotopic Mass: 558.105097g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 35
- Rotatable Bond Count: 12
- Complexity: 864
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 9
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -3.4
- Topological Polar Surface Area: 208?2
Cyclopropaneaceticacid,3-[[[2-[[6-(aminomethyl)-2-oxo-3-piperidinyl]amino]-1-(carboxymethyl)-2-oxoethyl]amino]carbonyl]-a,2-dichloro-2-(1-chloro-3-hydroxybutyl)-(9CI) Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
145569-96-6 (Cyclopropaneaceticacid,3-[[[2-[[6-(aminomethyl)-2-oxo-3-piperidinyl]amino]-1-(carboxymethyl)-2-oxoethyl]amino]carbonyl]-a,2-dichloro-2-(1-chloro-3-hydroxybutyl)-(9CI)) Related Products
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