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1004316-92-0 | 4-Morpholinebutanoic acid, α-[[[methyl[[2-(1-methylethyl)-4-thiazolyl]methyl]amino]carbonyl]amino]-, (αS)-
CAS No: 1004316-92-0 Catalog No: AG0001Z9 MDL No:MFCD30294858
Product Description
Catalog Number:
AG0001Z9
Chemical Name:
4-Morpholinebutanoic acid, α-[[[methyl[[2-(1-methylethyl)-4-thiazolyl]methyl]amino]carbonyl]amino]-, (αS)-
CAS Number:
1004316-92-0
Molecular Formula:
C17H28N4O4S
Molecular Weight:
384.4936
MDL Number:
MFCD30294858
IUPAC Name:
(2S)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-morpholin-4-ylbutanoic acid
InChI:
InChI=1S/C17H28N4O4S/c1-12(2)15-18-13(11-26-15)10-20(3)17(24)19-14(16(22)23)4-5-21-6-8-25-9-7-21/h11-12,14H,4-10H2,1-3H3,(H,19,24)(H,22,23)/t14-/m0/s1
InChI Key:
QEYXFSIVDPCIQM-AWEZNQCLSA-N
SMILES:
OC(=O)[C@@H](NC(=O)N(Cc1csc(n1)C(C)C)C)CCN1CCOCC1
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
384.183g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
384.495g/mol
Monoisotopic Mass:
384.183g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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