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23234-35-7 | Glycine, N2-[(1,1-dimethylethoxy)carbonyl]-N6-[(phenylmethoxy)carbonyl]-L-lysyl-, methyl ester
CAS No: 23234-35-7 Catalog No: AG002MMA MDL No:
Product Description
Catalog Number:
AG002MMA
Chemical Name:
Glycine, N2-[(1,1-dimethylethoxy)carbonyl]-N6-[(phenylmethoxy)carbonyl]-L-lysyl-, methyl ester
CAS Number:
23234-35-7
Molecular Formula:
C22H33N3O7
Molecular Weight:
451.5133
IUPAC Name:
methyl 2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]acetate
InChI:
InChI=1S/C22H33N3O7/c1-22(2,3)32-21(29)25-17(19(27)24-14-18(26)30-4)12-8-9-13-23-20(28)31-15-16-10-6-5-7-11-16/h5-7,10-11,17H,8-9,12-15H2,1-4H3,(H,23,28)(H,24,27)(H,25,29)/t17-/m0/s1
InChI Key:
BZLLTKWGIAFVFG-KRWDZBQOSA-N
SMILES:
COC(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)CCCCNC(=O)OCc1ccccc1
Properties
Complexity:
613
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
451.232g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
451.52g/mol
Monoisotopic Mass:
451.232g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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