Cas no 190271-96-6 (2-Oxiranecarboxylic acid, 3-[[[(1S)-1-[[bis(4-aminobutyl)amino]carbonyl]-3-methylbutyl]amino]carbonyl]-, (2S,3S)-)
![2-Oxiranecarboxylic acid, 3-[[[(1S)-1-[[bis(4-aminobutyl)amino]carbonyl]-3-methylbutyl]amino]carbonyl]-, (2S,3S)- structure](https://ossimg.kuujia.com/scimg/190500/190271-96-6x500.png)
190271-96-6 structure
Product Name:2-Oxiranecarboxylic acid, 3-[[[(1S)-1-[[bis(4-aminobutyl)amino]carbonyl]-3-methylbutyl]amino]carbonyl]-, (2S,3S)-
CAS No:190271-96-6
MF:C18H34N4O5
MW:386.486364841461
CID:2734751
PubChem ID:21601944
Update Time:2024-03-01
2-Oxiranecarboxylic acid, 3-[[[(1S)-1-[[bis(4-aminobutyl)amino]carbonyl]-3-methylbutyl]amino]carbonyl]-, (2S,3S)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Oxiranecarboxylic acid, 3-[[[(1S)-1-[[bis(4-aminobutyl)amino]carbonyl]-3-methylbutyl]amino]carbonyl]-, (2S,3S)-
- Circinamide
- SCHEMBL1230639
- (2S,3S)-3-[[(2S)-1-[bis(4-aminobutyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylic acid
- CHEBI:215028
-
- Inchi： 1S/C18H34N4O5/c1-12(2)11-13(21-16(23)14-15(27-14)18(25)26)17(24)22(9-5-3-7-19)10-6-4-8-20/h12-15H,3-11,19-20H2,1-2H3,(H,21,23)(H,25,26)/t13-,14-,15-/m0/s1
- InChI Key： QQVXQLBKFHMJOV-KKUMJFAQSA-N
- SMILES： O1[C@H](C(N[C@H](C(N(CCCCN)CCCCN)=O)CC(C)C)=O)[C@H]1C(O)=O
Computed Properties
- Exact Mass: 386.25292020g/mol
- Monoisotopic Mass: 386.25292020g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 27
- Rotatable Bond Count: 14
- Complexity: 490
- 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
- XLogP3: -2.6
- Topological Polar Surface Area: 151?2
2-Oxiranecarboxylic acid, 3-[[[(1S)-1-[[bis(4-aminobutyl)amino]carbonyl]-3-methylbutyl]amino]carbonyl]-, (2S,3S)- Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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