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CAS Number: 1033804-86-2
(S)-3-(4-(2-amino-6-chloropyrimidin-4-yl)phenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid

Structure

 (S)-3-(4-(2-amino-6-chloropyrimidin-4-yl)phenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid
Name: (S)-3-(4-(2-amino-6-chloropyrimidin-4-yl)phenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid
Synonyms:
General Information
Product Number: 1033804862

CAS Registry Number 1033804-86-2
Name:
L-?Phenylalanine, 4-?(2-?amino-?6-?chloro-?4-?pyrimidinyl)?-?N-?[(1,?1-?dimethylethoxy)?carbonyl]?-
(2S)-3-[4-(2-Amino-6-chloropyrimidin-4-yl)phenyl]-2-[(tert-butoxycarbonyl)amino]propionic acid
(S)-3-[4-(2-Amino-6-chloropyrimidin-4-yl)phenyl]-2-[(tert-butoxycarbonyl)amino]propionic a

 

Chemical Formula: C18H21ClN4O4
Exact Mass: 392.13
Molecular Weight: 392.84
m/z: 392.13 (100.0%), 394.12 (32.0%), 393.13 (19.9%), 395.13 (6.5%), 394.13 (3.0%), 393.12 (1.5%)

 

InChI:InChI=1S/C18H21ClN4O4/c1-18(2,3)27-17(26)22-13(15(24)25)8-10-4-6-11(7-5-10)12-9-14(19)23-16(20)21-12/h4-7,9,13H,8H2,1-3H3,(H,22,26)(H,24,25)(H2,20,21,23)/t13-/m0/s1

InChI Key:KOGJTURHFMAARC-ZDUSSCGKSA-N

Canonical SMILES:CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)C2=CC(=NC(=N2)N)Cl)C(=O)O

Specification

98%
References

PCT Int. Appl. (2012), WO 2012061576 A1 20120510.

PCT Int. Appl. (2011), WO 2011056916 A1 20110512.                                 
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