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1247119-36-3

1247119-36-3 | 4-Morpholinebutanoic acid, α-[[[methyl[[2-(1-methylethyl)-4-thiazolyl]methyl]amino]carbonyl]amino]-, ethyl ester, ethanedioate (1:1), (αS)-

CAS No: 1247119-36-3 Catalog No: AG000MNA MDL No:

Product Description

Catalog Number:
AG000MNA
Chemical Name:
4-Morpholinebutanoic acid, α-[[[methyl[[2-(1-methylethyl)-4-thiazolyl]methyl]amino]carbonyl]amino]-, ethyl ester, ethanedioate (1:1), (αS)-
CAS Number:
1247119-36-3
IUPAC Name:
ethyl (2S)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-morpholin-4-ylbutanoate;oxalic acid
InChI:
InChI=1S/C19H32N4O4S.C2H2O4/c1-5-27-18(24)16(6-7-23-8-10-26-11-9-23)21-19(25)22(4)12-15-13-28-17(20-15)14(2)3;3-1(4)2(5)6/h13-14,16H,5-12H2,1-4H3,(H,21,25);(H,3,4)(H,5,6)/t16-;/m0./s1
InChI Key:
QZLDJULECASEHV-NTISSMGPSA-N
EC Number:
931-074-0

Properties

Complexity:
574  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
502.21g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
502.583g/mol
Monoisotopic Mass:
502.21g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
187A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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