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1004316-91-9 | 4-Morpholinebutanoic acid, α-[[[methyl[[2-(1-methylethyl)-4-thiazolyl]methyl]amino]carbonyl]amino]-, methyl ester, (αS)-
CAS No: 1004316-91-9 Catalog No: AG0001ZA MDL No:
Product Description
Catalog Number:
AG0001ZA
Chemical Name:
4-Morpholinebutanoic acid, α-[[[methyl[[2-(1-methylethyl)-4-thiazolyl]methyl]amino]carbonyl]amino]-, methyl ester, (αS)-
CAS Number:
1004316-91-9
Molecular Formula:
C18H30N4O4S
Molecular Weight:
398.5202
IUPAC Name:
methyl (2S)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-morpholin-4-ylbutanoate
InChI:
InChI=1S/C18H30N4O4S/c1-13(2)16-19-14(12-27-16)11-21(3)18(24)20-15(17(23)25-4)5-6-22-7-9-26-10-8-22/h12-13,15H,5-11H2,1-4H3,(H,20,24)/t15-/m0/s1
InChI Key:
CSTZTQPURGFEOQ-HNNXBMFYSA-N
SMILES:
COC(=O)[C@@H](NC(=O)N(Cc1csc(n1)C(C)C)C)CCN1CCOCC1
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
398.199g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
398.522g/mol
Monoisotopic Mass:
398.199g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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