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10512-93-3 | Z-Val-ONp
CAS No: 10512-93-3 Catalog No: AG003VF6 MDL No:MFCD00038116
Product Description
Catalog Number:
AG003VF6
Chemical Name:
Z-Val-ONp
CAS Number:
10512-93-3
Molecular Formula:
C19H20N2O6
Molecular Weight:
372.3719
MDL Number:
MFCD00038116
IUPAC Name:
(4-nitrophenyl) (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
InChI:
InChI=1S/C19H20N2O6/c1-13(2)17(20-19(23)26-12-14-6-4-3-5-7-14)18(22)27-16-10-8-15(9-11-16)21(24)25/h3-11,13,17H,12H2,1-2H3,(H,20,23)/t17-/m0/s1
InChI Key:
GLFONBITBIYJPS-KRWDZBQOSA-N
SMILES:
CC([C@@H](C(=O)Oc1ccc(cc1)[N+](=O)[O-])NC(=O)OCc1ccccc1)C
EC Number:
234-047-5
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
372.132g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
372.377g/mol
Monoisotopic Mass:
372.132g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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