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218608-84-5 | (S)-3-((tert-Butoxycarbonyl)amino)-5-phenylpentanoic acid
CAS No: 218608-84-5 Catalog No: AG003OF4 MDL No:MFCD01076264
Product Description
Catalog Number:
AG003OF4
Chemical Name:
(S)-3-((tert-Butoxycarbonyl)amino)-5-phenylpentanoic acid
CAS Number:
218608-84-5
Molecular Formula:
C16H23NO4
Molecular Weight:
293.3581
MDL Number:
MFCD01076264
IUPAC Name:
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
InChI:
InChI=1S/C16H23NO4/c1-16(2,3)21-15(20)17-13(11-14(18)19)10-9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,17,20)(H,18,19)/t13-/m0/s1
InChI Key:
MYWZFJXOLAXENE-ZDUSSCGKSA-N
SMILES:
OC(=O)C[C@@H](NC(=O)OC(C)(C)C)CCc1ccccc1
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
293.163g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
293.363g/mol
Monoisotopic Mass:
293.163g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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