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125483-43-4 | Cyclopentanecarboxylic acid, 1-[[(2S,3R)-3-amino-2-hydroxy-4-[4-(methylsulfonyl)phenyl]-1-oxobutyl]amino]-
CAS No: 125483-43-4 Catalog No: AG000NQJ MDL No:
Product Description
Catalog Number:
AG000NQJ
Chemical Name:
Cyclopentanecarboxylic acid, 1-[[(2S,3R)-3-amino-2-hydroxy-4-[4-(methylsulfonyl)phenyl]-1-oxobutyl]amino]-
CAS Number:
125483-43-4
Molecular Formula:
C17H24N2O6S
Molecular Weight:
384.4473
IUPAC Name:
1-[[(2S,3R)-3-amino-2-hydroxy-4-(4-methylsulfonylphenyl)butanoyl]amino]cyclopentane-1-carboxylic acid
InChI:
InChI=1S/C17H24N2O6S/c1-26(24,25)12-6-4-11(5-7-12)10-13(18)14(20)15(21)19-17(16(22)23)8-2-3-9-17/h4-7,13-14,20H,2-3,8-10,18H2,1H3,(H,19,21)(H,22,23)/t13-,14+/m1/s1
InChI Key:
XJLNLWXPEXKWNZ-KGLIPLIRSA-N
SMILES:
N[C@@H]([C@@H](C(=O)NC1(CCCC1)C(=O)O)O)Cc1ccc(cc1)S(=O)(=O)C
Properties
Complexity:
616
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
384.136g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
384.447g/mol
Monoisotopic Mass:
384.136g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
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