Cas no 77426-96-1 (N-[(tert-butoxy)carbonyl]-L-aspartic acid, compound with dicyclohexylamine (1:2))
77426-96-1 structure
Product Name:N-[(tert-butoxy)carbonyl]-L-aspartic acid, compound with dicyclohexylamine (1:2)
CAS No:77426-96-1
MF:C33H61N3O6
MW:595.85395026207
CID:1785021
PubChem ID:44150768
Update Time:2025-04-21
N-[(tert-butoxy)carbonyl]-L-aspartic acid, compound with dicyclohexylamine (1:2) Chemical and Physical Properties
Names and Identifiers
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- N-[(tert-butoxy)carbonyl]-L-aspartic acid, compound with dicyclohexylamine (1:2)
- N-((tert-Butoxy)carbonyl)-L-aspartic acid, compound with dicyclohexylamine (1:2)
- N-cyclohexylcyclohexanamine,(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioic acid
- DTXCID80150633
- 77426-96-1
- DTXSID60228142
- EINECS 278-685-2
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- Inchi: 1S/2C12H23N.C9H15NO6/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-9(2,3)16-8(15)10-5(7(13)14)4-6(11)12/h2*11-13H,1-10H2;5H,4H2,1-3H3,(H,10,15)(H,11,12)(H,13,14)/t;;5-/m..0/s1
- InChI Key: UBZDZIIQOUVMHU-BYOYUIHVSA-N
- SMILES: O(C(N[C@H](C(=O)O)CC(=O)O)=O)C(C)(C)C.N(C1CCCCC1)C1CCCCC1.N(C1CCCCC1)C1CCCCC1
Computed Properties
- Exact Mass: 595.45603667g/mol
- Monoisotopic Mass: 595.45603667g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 42
- Rotatable Bond Count: 10
- Complexity: 409
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 137?2
N-[(tert-butoxy)carbonyl]-L-aspartic acid, compound with dicyclohexylamine (1:2) Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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