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83192-69-2 | Alanine,N-[[4-[(methoxycarbonyl)amino]phenyl]sulfonyl]-
CAS No: 83192-69-2 Catalog No: AG004VLJ MDL No:
Product Description
Catalog Number:
AG004VLJ
Chemical Name:
Alanine,N-[[4-[(methoxycarbonyl)amino]phenyl]sulfonyl]-
CAS Number:
83192-69-2
Molecular Formula:
C11H14N2O6S
Molecular Weight:
302.3037
IUPAC Name:
(2S)-2-[[4-(methoxycarbonylamino)phenyl]sulfonylamino]propanoic acid
InChI:
InChI=1S/C11H14N2O6S/c1-7(10(14)15)13-20(17,18)9-5-3-8(4-6-9)12-11(16)19-2/h3-7,13H,1-2H3,(H,12,16)(H,14,15)/t7-/m0/s1
InChI Key:
INFOPXDCGIEXLW-ZETCQYMHSA-N
SMILES:
COC(=O)Nc1ccc(cc1)S(=O)(=O)N[C@H](C(=O)O)C
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
302.057g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
302.301g/mol
Monoisotopic Mass:
302.057g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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