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827612-91-9 | Butanoic acid, 2-[[(phenylamino)carbonyl]amino]-4-sulfo-, (2R)-
CAS No: 827612-91-9 Catalog No: AG004Y5A MDL No:
Product Description
Catalog Number:
AG004Y5A
Chemical Name:
Butanoic acid, 2-[[(phenylamino)carbonyl]amino]-4-sulfo-, (2R)-
CAS Number:
827612-91-9
Molecular Formula:
C11H14N2O6S
Molecular Weight:
302.3037
IUPAC Name:
(2R)-2-(phenylcarbamoylamino)-4-sulfobutanoic acid
InChI:
InChI=1S/C11H14N2O6S/c14-10(15)9(6-7-20(17,18)19)13-11(16)12-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,14,15)(H2,12,13,16)(H,17,18,19)/t9-/m1/s1
InChI Key:
ZYRBSCCVHTYLMB-SECBINFHSA-N
SMILES:
O=C(Nc1ccccc1)N[C@@H](C(=O)O)CCS(=O)(=O)O
Properties
Complexity:
438
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:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
302.301g/mol
Monoisotopic Mass:
302.057g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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