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201733-11-1 | Butanediamide, 2-(benzoylamino)-N1-(4-nitrophenyl)-, (2S)-
CAS No: 201733-11-1 Catalog No: AG0027SZ MDL No:
Product Description
Catalog Number:
AG0027SZ
Chemical Name:
Butanediamide, 2-(benzoylamino)-N1-(4-nitrophenyl)-, (2S)-
CAS Number:
201733-11-1
Molecular Formula:
C17H16N4O5
Molecular Weight:
356.3327
IUPAC Name:
(2S)-2-benzamido-N-(4-nitrophenyl)butanediamide
InChI:
InChI=1S/C17H16N4O5/c18-15(22)10-14(20-16(23)11-4-2-1-3-5-11)17(24)19-12-6-8-13(9-7-12)21(25)26/h1-9,14H,10H2,(H2,18,22)(H,19,24)(H,20,23)/t14-/m0/s1
InChI Key:
SLFUSGBNVYEJGY-AWEZNQCLSA-N
SMILES:
NC(=O)C[C@@H](C(=O)Nc1ccc(cc1)[N+](=O)[O-])NC(=O)c1ccccc1
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
356.112g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
356.338g/mol
Monoisotopic Mass:
356.112g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Stored cysteine proteinases start globulin mobilization in protein bodies of embryonic axes and cotyledons during vetch (Vicia sativa L.) seed germination. | Planta 20010401 |
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