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1012341-52-4 | [1,1'-Biphenyl]-4-pentanoic acid, γ-[[(1,1-dimethylethoxy)carbonyl]amino]-α-methyl-, (αS,γS)-
CAS No: 1012341-52-4 Catalog No: AG000408 MDL No:
Product Description
Catalog Number:
AG000408
Chemical Name:
[1,1'-Biphenyl]-4-pentanoic acid, γ-[[(1,1-dimethylethoxy)carbonyl]amino]-α-methyl-, (αS,γS)-
CAS Number:
1012341-52-4
Molecular Formula:
C23H29NO4
Molecular Weight:
383.4807
IUPAC Name:
(2S,4S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoic acid
InChI:
InChI=1S/C23H29NO4/c1-16(21(25)26)14-20(24-22(27)28-23(2,3)4)15-17-10-12-19(13-11-17)18-8-6-5-7-9-18/h5-13,16,20H,14-15H2,1-4H3,(H,24,27)(H,25,26)/t16-,20-/m0/s1
InChI Key:
YNELJETWNMPEEH-JXFKEZNVSA-N
SMILES:
C[C@H](C(=O)O)C[C@@H](Cc1ccc(cc1)c1ccccc1)NC(=O)OC(C)(C)C
Properties
Complexity:
499
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
383.21g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
383.488g/mol
Monoisotopic Mass:
383.21g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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