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88224-03-7

88224-03-7 | H-Leu-OAll.TosOH

CAS No: 88224-03-7 Catalog No: AG004B87 MDL No:MFCD00043312

Product Description

Catalog Number:
AG004B87
Chemical Name:
H-Leu-OAll.TosOH
CAS Number:
88224-03-7
Molecular Formula:
C16H25NO5S
Molecular Weight:
343.4384
MDL Number:
MFCD00043312
IUPAC Name:
4-methylbenzenesulfonic acid;prop-2-enyl (2S)-2-amino-4-methylpentanoate
InChI:
InChI=1S/C9H17NO2.C7H8O3S/c1-4-5-12-9(11)8(10)6-7(2)3;1-6-2-4-7(5-3-6)11(8,9)10/h4,7-8H,1,5-6,10H2,2-3H3;2-5H,1H3,(H,8,9,10)/t8-;/m0./s1
InChI Key:
VIDHIGJZWRNZDG-QRPNPIFTSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)O.C=CCOC(=O)[C@H](CC(C)C)N

Properties

Complexity:
361  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
343.145g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
343.438g/mol
Monoisotopic Mass:
343.145g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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