Cas no 122313-00-2 (N-alpha-t-Butyloxycarbonyl-N-beta-methyl-N-beta-methoxy-L-aspargine alpha-t-butyl ester)
122313-00-2 structure
Product Name:N-alpha-t-Butyloxycarbonyl-N-beta-methyl-N-beta-methoxy-L-aspargine alpha-t-butyl ester
CAS No:122313-00-2
MF:C15H28N2O6
MW:332.392624855042
CID:6642350
PubChem ID:10980490
Update Time:2024-01-29
N-alpha-t-Butyloxycarbonyl-N-beta-methyl-N-beta-methoxy-L-aspargine alpha-t-butyl ester Chemical and Physical Properties
Names and Identifiers
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- E87267
- AKOS030212259
- SCHEMBL23610089
- tert-butyl (2S)-4-[methoxy(methyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate
- N-alpha-t-Butyloxycarbonyl-N-beta-methyl-N-beta-methoxy-L-aspargine alpha-t-butyl ester
- 122313-00-2
-
- Inchi： 1S/C15H28N2O6/c1-14(2,3)22-12(19)10(9-11(18)17(7)21-8)16-13(20)23-15(4,5)6/h10H,9H2,1-8H3,(H,16,20)/t10-/m0/s1
- InChI Key： IDFMHBQALWDJNI-JTQLQIEISA-N
- SMILES： O(C([C@H](CC(N(C)OC)=O)NC(=O)OC(C)(C)C)=O)C(C)(C)C
Computed Properties
- Exact Mass: 332.19473662g/mol
- Monoisotopic Mass: 332.19473662g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 23
- Rotatable Bond Count: 9
- Complexity: 436
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.3
- Topological Polar Surface Area: 94.2?2
N-alpha-t-Butyloxycarbonyl-N-beta-methyl-N-beta-methoxy-L-aspargine alpha-t-butyl ester Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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