200,000+ products from a single source!
sales@angenechem.com
1247119-33-0 | Carbamic acid, N-[(1R,4R)-4-amino-5-phenyl-1-(phenylmethyl)pentyl]-, 5-thiazolylmethyl ester, hydrochloride (1:1)
CAS No: 1247119-33-0 Catalog No: AG000MNB MDL No:
Product Description
Catalog Number:
AG000MNB
Chemical Name:
Carbamic acid, N-[(1R,4R)-4-amino-5-phenyl-1-(phenylmethyl)pentyl]-, 5-thiazolylmethyl ester, hydrochloride (1:1)
CAS Number:
1247119-33-0
Molecular Formula:
C23H28ClN3O2S
Molecular Weight:
446.0053
IUPAC Name:
1,3-thiazol-5-ylmethyl N-[(2R,5R)-5-amino-1,6-diphenylhexan-2-yl]carbamate;hydrochloride
InChI:
InChI=1S/C23H27N3O2S.ClH/c24-20(13-18-7-3-1-4-8-18)11-12-21(14-19-9-5-2-6-10-19)26-23(27)28-16-22-15-25-17-29-22;/h1-10,15,17,20-21H,11-14,16,24H2,(H,26,27);1H/t20-,21-;/m1./s1
InChI Key:
UPZSMWCRMXVNOX-MUCZFFFMSA-N
SMILES:
N[C@@H](Cc1ccccc1)CC[C@H](Cc1ccccc1)NC(=O)OCc1cncs1.Cl
EC Number:
700-848-8
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
445.159g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
446.006g/mol
Monoisotopic Mass:
445.159g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.