Synonyms
787554-04-5; N-alpha-(2,4,6-Triisopropylbenzenesulfonyl)-O-(tert-butyldiphenylsilyl)-pros-methyl-L-histidinol; Nalpha-(2,4,6-Triisopropylbenzenesulfonyl)-O-(tert-butyldiphenylsilyl)-pros-methyl-L-histidinol; CTK8B3410; TR-025145; MFCD08276432;
IUPAC Name
N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(3-methylimidazol-4-yl)propan-2-yl]-2,4,6-tri(propan-2-yl)benzenesulfonamide;
Molecular Weight
660.005g/mol
Molecular Formula
C38H53N3O3SSi;
Canonical SMILES
CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)NC(CC2=CN=CN2C)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)C(C)C;
InChI
InChI=1S/C38H53N3O3SSi/c1-27(2)30-21-35(28(3)4)37(36(22-30)29(5)6)45(42,43)40-31(23-32-24-39-26-41(32)10)25-44-46(38(7,8)9,33-17-13-11-14-18-33)34-19-15-12-16-20-34/h11-22,24,26-29,31,40H,23,25H2,1-10H3/t31-/m0/s1;
InChI Key
WRQMRAGSDVXWEV-HKBQPEDESA-N;
Complexity
991
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
1
Exact Mass
659.358g/mol
H-Bond Acceptor
5
H-Bond Donor
1
Heavy Atom Count
46
Monoisotopic Mass
659.358g/mol
Rotatable Bond Count
14
Topological Polar Surface Area
81.6A^2
