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270596-42-4 | (S)-3-((tert-Butoxycarbonyl)amino)-4-(4-chlorophenyl)butanoic acid
CAS No: 270596-42-4 Catalog No: AG003OEX MDL No:MFCD01318372
Product Description
Catalog Number:
AG003OEX
Chemical Name:
(S)-3-((tert-Butoxycarbonyl)amino)-4-(4-chlorophenyl)butanoic acid
CAS Number:
270596-42-4
Molecular Formula:
C15H20ClNO4
Molecular Weight:
313.7766
MDL Number:
MFCD01318372
IUPAC Name:
(3S)-4-(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
InChI:
InChI=1S/C15H20ClNO4/c1-15(2,3)21-14(20)17-12(9-13(18)19)8-10-4-6-11(16)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,17,20)(H,18,19)/t12-/m0/s1
InChI Key:
XHNLLTGZBXJRGH-LBPRGKRZSA-N
SMILES:
OC(=O)C[C@H](Cc1ccc(cc1)Cl)NC(=O)OC(C)(C)C
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
313.108g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
313.778g/mol
Monoisotopic Mass:
313.108g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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