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204199-67-7 | L-Aspartic acid, N-[(2S)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-methylpentyl]-, 4-(phenylmethyl) ester
CAS No: 204199-67-7 Catalog No: AG0029BM MDL No:MFCD00273438
Product Description
Catalog Number:
AG0029BM
Chemical Name:
L-Aspartic acid, N-[(2S)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-methylpentyl]-, 4-(phenylmethyl) ester
CAS Number:
204199-67-7
Molecular Formula:
C22H33N2O6-
Molecular Weight:
421.5072
MDL Number:
MFCD00273438
IUPAC Name:
(2S)-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]amino]-4-oxo-4-phenylmethoxybutanoic acid
InChI:
InChI=1S/C22H34N2O6/c1-15(2)11-17(24-21(28)30-22(3,4)5)13-23-18(20(26)27)12-19(25)29-14-16-9-7-6-8-10-16/h6-10,15,17-18,23H,11-14H2,1-5H3,(H,24,28)(H,26,27)/t17-,18-/m0/s1
InChI Key:
AUVZCWDQLBTZGO-ROUUACIJSA-N
SMILES:
CC(C[C@H](NC(=O)OC(C)(C)C)CN[C@H](C(=O)[O-])CC(=O)OCc1ccccc1)C
Properties
Complexity:
552
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
422.242g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
422.522g/mol
Monoisotopic Mass:
422.242g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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