Cas no 80963-08-2 (4-Benzyl 1-tert-Butyl (S)-2-(Boc-amino)succinate)
80963-08-2 structure
Product Name:4-Benzyl 1-tert-Butyl (S)-2-(Boc-amino)succinate
CAS No:80963-08-2
MF:C20H29NO6
MW:379.447366476059
CID:6642348
PubChem ID:14379015
Update Time:2024-01-29
4-Benzyl 1-tert-Butyl (S)-2-(Boc-amino)succinate Chemical and Physical Properties
Names and Identifiers
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- SCHEMBL9943562
- MFCD29076087
- 80963-08-2
- 4-Benzyl 1-tert-Butyl (S)-2-(Boc-amino)succinate
- SY343335
-
- Inchi： 1S/C20H29NO6/c1-19(2,3)26-17(23)15(21-18(24)27-20(4,5)6)12-16(22)25-13-14-10-8-7-9-11-14/h7-11,15H,12-13H2,1-6H3,(H,21,24)
- InChI Key： BFROBHITTVOPDW-UHFFFAOYSA-N
- SMILES： O(C(C(CC(=O)OCC1C=CC=CC=1)NC(=O)OC(C)(C)C)=O)C(C)(C)C
Computed Properties
- Exact Mass: 379.19948764g/mol
- Monoisotopic Mass: 379.19948764g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 27
- Rotatable Bond Count: 11
- Complexity: 512
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.2
- Topological Polar Surface Area: 90.9?2
4-Benzyl 1-tert-Butyl (S)-2-(Boc-amino)succinate Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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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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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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