Product Name :
Nα-(2,4,6-Triisopropylbenzenesulfonyl)-O-(tert-butyldiphenylsilyl)-π-methyl-L-histidinol
CAS :
787554-04-5
Molecular Weight:
660.005g/mol
Formula:
C38H53N3O3SSi;
RIDADR :
Symbol :
Specification:
| 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; | 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
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