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1149-26-4 | L-Valine, N-[(phenylmethoxy)carbonyl]-
CAS No: 1149-26-4 Catalog No: AG000FFD MDL No:MFCD00008922
Product Description
Catalog Number:
AG000FFD
Chemical Name:
L-Valine, N-[(phenylmethoxy)carbonyl]-
CAS Number:
1149-26-4
Molecular Formula:
C13H17NO4
Molecular Weight:
251.2784
MDL Number:
MFCD00008922
IUPAC Name:
(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid
InChI:
InChI=1S/C13H17NO4/c1-9(2)11(12(15)16)14-13(17)18-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,17)(H,15,16)/t11-/m0/s1
InChI Key:
CANZBRDGRHNSGZ-NSHDSACASA-N
SMILES:
CC([C@@H](C(=O)O)NC(=O)OCc1ccccc1)C
EC Number:
214-562-1
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
251.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.282g/mol
Monoisotopic Mass:
251.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Protease-mediated fragmentation of p-amidobenzyl ethers: a new strategy for the activation of anticancer prodrugs. | The Journal of organic chemistry 20020322 |
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