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31062-20-1 | D-Norleucine, N-[(phenylmethoxy)carbonyl]-, 4-nitrophenyl ester
CAS No: 31062-20-1 Catalog No: AG00321A MDL No:MFCD00057617
Product Description
Catalog Number:
AG00321A
Chemical Name:
D-Norleucine, N-[(phenylmethoxy)carbonyl]-, 4-nitrophenyl ester
CAS Number:
31062-20-1
Molecular Formula:
C20H22N2O6
Molecular Weight:
386.3985
MDL Number:
MFCD00057617
IUPAC Name:
(4-nitrophenyl) (2R)-2-(phenylmethoxycarbonylamino)hexanoate
InChI:
InChI=1S/C20H22N2O6/c1-2-3-9-18(21-20(24)27-14-15-7-5-4-6-8-15)19(23)28-17-12-10-16(11-13-17)22(25)26/h4-8,10-13,18H,2-3,9,14H2,1H3,(H,21,24)/t18-/m1/s1
InChI Key:
UFQPOFZGPUCSGU-GOSISDBHSA-N
SMILES:
CCCC[C@H](C(=O)Oc1ccc(cc1)[N+](=O)[O-])NC(=O)OCc1ccccc1
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
386.148g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
386.404g/mol
Monoisotopic Mass:
386.148g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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