200,000+ products from a single source!
sales@angenechem.com
191226-98-9 | Carbamic acid, N-[(1S,2R)-2-hydroxy-3-[(2-methylpropyl)[(4-nitrophenyl)sulfonyl]amino]-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester
CAS No: 191226-98-9 Catalog No: AG002F4S MDL No:MFCD07367694
Product Description
Catalog Number:
AG002F4S
Chemical Name:
Carbamic acid, N-[(1S,2R)-2-hydroxy-3-[(2-methylpropyl)[(4-nitrophenyl)sulfonyl]amino]-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester
CAS Number:
191226-98-9
Molecular Formula:
C25H35N3O7S
Molecular Weight:
521.6263
MDL Number:
MFCD07367694
IUPAC Name:
tert-butyl N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate
InChI:
InChI=1S/C25H35N3O7S/c1-18(2)16-27(36(33,34)21-13-11-20(12-14-21)28(31)32)17-23(29)22(15-19-9-7-6-8-10-19)26-24(30)35-25(3,4)5/h6-14,18,22-23,29H,15-17H2,1-5H3,(H,26,30)/t22-,23+/m0/s1
InChI Key:
CQGKCZKCWMWXQP-XZOQPEGZSA-N
SMILES:
CC(CN(S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])C[C@H]([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)O)C
Properties
Complexity:
803
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
521.22g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
521.629g/mol
Monoisotopic Mass:
521.22g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.