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1263280-57-4 | Carbamic acid, N-(1,1-dimethylethyl)-, (1R,2S)-2-hydroxy-3-[(2-methylpropyl)amino]-1-(phenylmethyl)propyl ester, rel-
CAS No: 1263280-57-4 Catalog No: AG000SKU MDL No:MFCD17011755
Product Description
Catalog Number:
AG000SKU
Chemical Name:
Carbamic acid, N-(1,1-dimethylethyl)-, (1R,2S)-2-hydroxy-3-[(2-methylpropyl)amino]-1-(phenylmethyl)propyl ester, rel-
CAS Number:
1263280-57-4
Molecular Formula:
C19H32N2O3
Molecular Weight:
336.4690
MDL Number:
MFCD17011755
IUPAC Name:
[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl] N-tert-butylcarbamate
InChI:
InChI=1S/C19H32N2O3/c1-14(2)12-20-13-16(22)17(11-15-9-7-6-8-10-15)24-18(23)21-19(3,4)5/h6-10,14,16-17,20,22H,11-13H2,1-5H3,(H,21,23)/t16-,17+/m1/s1
InChI Key:
SDSXPEQIXIHEEH-SJORKVTESA-N
SMILES:
CC(CNC[C@@H]([C@@H](Cc1ccccc1)OC(=O)NC(C)(C)C)O)C
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
336.241g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
336.476g/mol
Monoisotopic Mass:
336.241g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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