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154212-61-0 | N-[2-Isopropylthiazol-4-ylmethyl(methyl)carbamoyl]-L-valine
CAS No: 154212-61-0 Catalog No: AG0035BS MDL No:MFCD07369527
Product Description
Catalog Number:
AG0035BS
Chemical Name:
N-[2-Isopropylthiazol-4-ylmethyl(methyl)carbamoyl]-L-valine
CAS Number:
154212-61-0
Molecular Formula:
C14H23N3O3S
Molecular Weight:
313.4157
MDL Number:
MFCD07369527
IUPAC Name:
(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoic acid
InChI:
InChI=1S/C14H23N3O3S/c1-8(2)11(13(18)19)16-14(20)17(5)6-10-7-21-12(15-10)9(3)4/h7-9,11H,6H2,1-5H3,(H,16,20)(H,18,19)/t11-/m0/s1
InChI Key:
OSQWRZICKAOBFA-NSHDSACASA-N
SMILES:
CN(C(=O)N[C@H](C(=O)O)C(C)C)Cc1csc(n1)C(C)C
UNII:
10433TZP2U
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
313.146g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
313.416g/mol
Monoisotopic Mass:
313.146g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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