Home Carbonyls 2-[(tert-Butoxycarbonyl)amino]-3-[(4-methylbenzyl)thio]propanoic acid

2-[(tert-Butoxycarbonyl)amino]-3-[(4-methylbenzyl)thio]propanoic acid

CAS No.:
61925-78-8
Catalog Number:
AG00EA10
Molecular Formula:
C16H23NO4S
Molecular Weight:
325.4231
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
≥ 98% (HPLC)
1 week
United States
$99
- +
5g
≥ 98% (HPLC)
1 week
United States
$265
- +
25g
≥ 98% (HPLC)
1 week
United States
$1022
- +
Product Description
Catalog Number:
AG00EA10
Chemical Name:
2-[(tert-Butoxycarbonyl)amino]-3-[(4-methylbenzyl)thio]propanoic acid
CAS Number:
61925-78-8
Molecular Formula:
C16H23NO4S
Molecular Weight:
325.4231
MDL Number:
MFCD00076924
IUPAC Name:
(2S)-3-[(4-methylphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C16H23NO4S/c1-11-5-7-12(8-6-11)9-22-10-13(14(18)19)17-15(20)21-16(2,3)4/h5-8,13H,9-10H2,1-4H3,(H,17,20)(H,18,19)/t13-/m1/s1
InChI Key:
CUNVVZWSABRKAL-CYBMUJFWSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H](C(=O)O)CSCc1ccc(cc1)C
Properties
Complexity:
373  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
325.135g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
325.423g/mol
Monoisotopic Mass:
325.135g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties