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1270290-73-7 | D-Phenylalanine, 4-(1,1-dimethylethyl)-N-[(phenylmethoxy)carbonyl]-
CAS No: 1270290-73-7 Catalog No: AG000WKO MDL No:
Product Description
Catalog Number:
AG000WKO
Chemical Name:
D-Phenylalanine, 4-(1,1-dimethylethyl)-N-[(phenylmethoxy)carbonyl]-
CAS Number:
1270290-73-7
Molecular Formula:
C21H25NO4
Molecular Weight:
355.4275
IUPAC Name:
3-(4-tert-butylphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C21H25NO4/c1-21(2,3)17-11-9-15(10-12-17)13-18(19(23)24)22-20(25)26-14-16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3,(H,22,25)(H,23,24)
InChI Key:
XBNNNROLVWMWES-UHFFFAOYSA-N
SMILES:
O=C(N[C@@H](C(=O)O)Cc1ccc(cc1)C(C)(C)C)OCc1ccccc1
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.178g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
355.434g/mol
Monoisotopic Mass:
355.178g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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