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161561-83-7 | L-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-3-[[(2-propen-1-yloxy)carbonyl]amino]-
CAS No: 161561-83-7 Catalog No: AG001VP8 MDL No:MFCD00798611
Product Description
Catalog Number:
AG001VP8
Chemical Name:
L-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-3-[[(2-propen-1-yloxy)carbonyl]amino]-
CAS Number:
161561-83-7
Molecular Formula:
C12H20N2O6
Molecular Weight:
288.2970
MDL Number:
MFCD00798611
IUPAC Name:
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(prop-2-enoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C12H20N2O6/c1-5-6-19-10(17)13-7-8(9(15)16)14-11(18)20-12(2,3)4/h5,8H,1,6-7H2,2-4H3,(H,13,17)(H,14,18)(H,15,16)/t8-/m0/s1
InChI Key:
AUPOSBLDRPESJX-QMMMGPOBSA-N
SMILES:
C=CCOC(=O)NC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
288.132g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
288.3g/mol
Monoisotopic Mass:
288.132g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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