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Home > Nitro Compounds > 1738-87-0
1738-87-0 | L-Leucine, N-[(phenylmethoxy)carbonyl]-, 4-nitrophenyl ester
CAS No: 1738-87-0 Catalog No: AG001Z6Y MDL No:MFCD00024656
Product Description
Catalog Number:
AG001Z6Y
Chemical Name:
L-Leucine, N-[(phenylmethoxy)carbonyl]-, 4-nitrophenyl ester
CAS Number:
1738-87-0
Molecular Formula:
C20H22N2O6
Molecular Weight:
386.3985
MDL Number:
MFCD00024656
IUPAC Name:
(4-nitrophenyl) (2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoate
InChI:
InChI=1S/C20H22N2O6/c1-14(2)12-18(21-20(24)27-13-15-6-4-3-5-7-15)19(23)28-17-10-8-16(9-11-17)22(25)26/h3-11,14,18H,12-13H2,1-2H3,(H,21,24)/t18-/m0/s1
InChI Key:
UALXQWNUXKECJD-SFHVURJKSA-N
SMILES:
CC(C[C@@H](C(=O)Oc1ccc(cc1)[N+](=O)[O-])NC(=O)OCc1ccccc1)C
EC Number:
217-098-8
Properties
Complexity:
519
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:
9
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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