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87047-23-2 | Butanoic acid, 3-amino-4-oxo-4-[(2-sulfoethyl)amino]-, (S)-
CAS No: 87047-23-2 Catalog No: AG004JWK MDL No:
Product Description
Catalog Number:
AG004JWK
Chemical Name:
Butanoic acid, 3-amino-4-oxo-4-[(2-sulfoethyl)amino]-, (S)-
CAS Number:
87047-23-2
Molecular Formula:
C6H12N2O6S
Molecular Weight:
240.2343
IUPAC Name:
(3S)-3-amino-4-oxo-4-(2-sulfoethylamino)butanoic acid
InChI:
InChI=1S/C6H12N2O6S/c7-4(3-5(9)10)6(11)8-1-2-15(12,13)14/h4H,1-3,7H2,(H,8,11)(H,9,10)(H,12,13,14)/t4-/m0/s1
InChI Key:
VYZDHIGWWYERJI-BYPYZUCNSA-N
SMILES:
OC(=O)C[C@@H](C(=O)NCCS(=O)(=O)O)N
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
240.042g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
240.23g/mol
Monoisotopic Mass:
240.042g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.2
Literature
| Title | Journal |
|---|---|
| Kinin B1 receptors contributes to acute pain following minor surgery in humans. | Molecular pain 20100101 |
| Proteomic interrogation of androgen action in prostate cancer cells reveals roles of aminoacyl tRNA synthetases. | PloS one 20090101 |
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