N-Benzyl-N-[(R)-2-hydroxypropyl][(S)-2-(Boc-amino)propanamide] - CAS 162150-53-0
Catalog: |
BB011840 |
Product Name: |
N-Benzyl-N-[(R)-2-hydroxypropyl][(S)-2-(Boc-amino)propanamide] |
CAS: |
162150-53-0 |
Synonyms: |
N-[(2S)-1-[[(2R)-2-hydroxypropyl]-(phenylmethyl)amino]-1-oxopropan-2-yl]carbamic acid tert-butyl ester; tert-butyl N-[(2S)-1-[benzyl-[(2R)-2-hydroxypropyl]amino]-1-oxopropan-2-yl]carbamate |
IUPAC Name: | tert-butyl N-[(2S)-1-[benzyl-[(2R)-2-hydroxypropyl]amino]-1-oxopropan-2-yl]carbamate |
Description: | N-Benzyl-N-[(R)-2-hydroxypropyl][(S)-2-(Boc-amino)propanamide] (CAS# 162150-53-0 ) is a useful research chemical. |
Molecular Weight: | 336.43 |
Molecular Formula: | C18H28N2O4 |
Canonical SMILES: | CC(CN(CC1=CC=CC=C1)C(=O)C(C)NC(=O)OC(C)(C)C)O |
InChI: | InChI=1S/C18H28N2O4/c1-13(21)11-20(12-15-9-7-6-8-10-15)16(22)14(2)19-17(23)24-18(3,4)5/h6-10,13-14,21H,11-12H2,1-5H3,(H,19,23)/t13-,14+/m1/s1 |
InChI Key: | PTWIWPBSPWMQEU-KGLIPLIRSA-N |
LogP: | 2.70010 |
Publication Number | Title | Priority Date |
US-2020331921-A1 | Inhibitors of the bcl6 btb domain protein-protein interaction and uses thereof | 20180206 |
WO-2019119145-A1 | Tricyclic inhibitors of the bcl6 btb domain protein-protein interaction and uses thereof | 20171221 |
EP-3728267-A1 | Tricyclic inhibitors of the bcl6 btb domain protein-protein interaction and uses thereof | 20171221 |
US-2021053978-A1 | Tricyclic inhibitors of the bcl6 btb domain protein-protein interaction and uses thereof | 20171221 |
AU-2017226004-A1 | Inhibitors of WDR5 protein-protein binding | 20160301 |
Complexity: | 414 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 336.20490738 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 336.20490738 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 78.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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