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79118-34-6 | Alanine, N-[1-[(1,1-dimethylethoxy)carbonyl]-L-prolyl]-2-methyl-
CAS No: 79118-34-6 Catalog No: AG0053I9 MDL No:
Product Description
Catalog Number:
AG0053I9
Chemical Name:
Alanine, N-[1-[(1,1-dimethylethoxy)carbonyl]-L-prolyl]-2-methyl-
CAS Number:
79118-34-6
Molecular Formula:
C14H24N2O5
Molecular Weight:
300.3508
IUPAC Name:
2-methyl-2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]propanoic acid
InChI:
InChI=1S/C14H24N2O5/c1-13(2,3)21-12(20)16-8-6-7-9(16)10(17)15-14(4,5)11(18)19/h9H,6-8H2,1-5H3,(H,15,17)(H,18,19)/t9-/m0/s1
InChI Key:
XXTSKKSHCAONLP-VIFPVBQESA-N
SMILES:
O=C([C@@H]1CCCN1C(=O)OC(C)(C)C)NC(C(=O)O)(C)C
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
300.169g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
300.355g/mol
Monoisotopic Mass:
300.169g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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