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89842-85-3 | L-Alanine, N-[[[3,5-bis(1,1-dimethylethyl)phenyl]methoxy]carbonyl]-
CAS No: 89842-85-3 Catalog No: AG003YRI MDL No:
Product Description
Catalog Number:
AG003YRI
Chemical Name:
L-Alanine, N-[[[3,5-bis(1,1-dimethylethyl)phenyl]methoxy]carbonyl]-
CAS Number:
89842-85-3
Molecular Formula:
C19H29NO4
Molecular Weight:
335.4379
IUPAC Name:
2-[(3,5-ditert-butylphenyl)methoxycarbonylamino]propanoic acid
InChI:
InChI=1S/C19H29NO4/c1-12(16(21)22)20-17(23)24-11-13-8-14(18(2,3)4)10-15(9-13)19(5,6)7/h8-10,12H,11H2,1-7H3,(H,20,23)(H,21,22)
InChI Key:
NVMWUCFAKOTQJC-UHFFFAOYSA-N
SMILES:
C[C@@H](C(=O)O)NC(=O)OCc1cc(cc(c1)C(C)(C)C)C(C)(C)C
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.21g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
335.444g/mol
Monoisotopic Mass:
335.21g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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