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129972-45-8 | L-Valine, 3-[[(acetylamino)methyl]thio]-N-[(1,1-dimethylethoxy)carbonyl]-
CAS No: 129972-45-8 Catalog No: AG000TTS MDL No:MFCD00151885
Product Description
Catalog Number:
AG000TTS
Chemical Name:
L-Valine, 3-[[(acetylamino)methyl]thio]-N-[(1,1-dimethylethoxy)carbonyl]-
CAS Number:
129972-45-8
Molecular Formula:
C13H24N2O5S
Molecular Weight:
320.4051
MDL Number:
MFCD00151885
IUPAC Name:
(2R)-3-(acetamidomethylsulfanyl)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
InChI:
InChI=1S/C13H24N2O5S/c1-8(16)14-7-21-13(5,6)9(10(17)18)15-11(19)20-12(2,3)4/h9H,7H2,1-6H3,(H,14,16)(H,15,19)(H,17,18)/t9-/m1/s1
InChI Key:
SUSPMXBDNAADFK-SECBINFHSA-N
SMILES:
CC(=O)NCSC([C@@H](C(=O)O)NC(=O)OC(C)(C)C)(C)C
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
320.141g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
320.404g/mol
Monoisotopic Mass:
320.141g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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