200,000+ products from a single source!
sales@angenechem.com
198470-36-9 | D-Valine, N-[(1,1-dimethylethoxy)carbonyl]-3-[[(4-methylphenyl)methyl]thio]-, compd. with N-cyclohexylcyclohexanamine (1:1) (9CI)
CAS No: 198470-36-9 Catalog No: AG002BJ3 MDL No:MFCD00235908
Product Description
Catalog Number:
AG002BJ3
Chemical Name:
D-Valine, N-[(1,1-dimethylethoxy)carbonyl]-3-[[(4-methylphenyl)methyl]thio]-, compd. with N-cyclohexylcyclohexanamine (1:1) (9CI)
CAS Number:
198470-36-9
Molecular Formula:
C18H27NO4S
Molecular Weight:
353.4763
MDL Number:
MFCD00235908
IUPAC Name:
N-cyclohexylcyclohexanamine;(2S)-3-methyl-3-[(4-methylphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
InChI:
InChI=1S/C18H27NO4S.C12H23N/c1-12-7-9-13(10-8-12)11-24-18(5,6)14(15(20)21)19-16(22)23-17(2,3)4;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h7-10,14H,11H2,1-6H3,(H,19,22)(H,20,21);11-13H,1-10H2/t14-;/m0./s1
InChI Key:
XIWRVVSYJKYAIZ-UQKRIMTDSA-N
SMILES:
O=C(OC(C)(C)C)N[C@H](C(SCc1ccc(cc1)C)(C)C)C(=O)O
Properties
Complexity:
553
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
534.349g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
534.8g/mol
Monoisotopic Mass:
534.349g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.