CAS 191226-98-9: tert-Butyl [(1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl[(4-nitrophenyl)sulfonyl]amino]propyl]carbamate

Description: Tert-Butyl [(1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl[(4-nitrophenyl)sulfonyl]amino]propyl]carbamate, with CAS number 191226-98-9, is a complex organic compound characterized by its multi-functional structure. It features a tert-butyl group, which enhances its lipophilicity, making it soluble in organic solvents. The compound contains a benzyl moiety and a hydroxy group, contributing to its potential as a pharmaceutical intermediate or active ingredient. The presence of an isobutyl group and a sulfonamide linkage, specifically with a 4-nitrophenyl sulfonyl group, suggests possible applications in medicinal chemistry, particularly in the development of enzyme inhibitors or other therapeutic agents. The stereochemistry indicated by the (1S,2R) configuration implies specific spatial arrangements that may influence biological activity and interactions with target proteins. Overall, this compound's unique structural features and functional groups make it a subject of interest in chemical research and drug development.

Formula: C₂₅H₃₅N₃O₇S

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: InChIKey=CQGKCZKCWMWXQP-XZOQPEGZSA-N

SMILES: O=C(OC(C)(C)C)NC(CC=1C=CC=CC1)C(O)CN(CC(C)C)S(=O)(=O)C2=CC=C(C=C2)N(=O)=O

Synonyms:

• Carbamic acid, N-[(1S,2R)-2-hydroxy-3-[(2-methylpropyl)[(4-nitrophenyl)sulfonyl]amino]-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester
• Carbamic acid, [(1S,2R)-2-hydroxy-3-[(2-methylpropyl)[(4-nitrophenyl)sulfonyl]amino]-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester
• Carbamic acid, [2-hydroxy-3-[(2-methylpropyl)[(4-nitrophenyl)sulfonyl]amino]-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester, [R-(R*,S*)]-
• N-[(1S,2R)-2-Hydroxy-3-[(2-methylpropyl)[(4-nitrophenyl)sulfonyl]amino]-1-(phenylmethyl)propyl]-carbamic Acid 1,1-Dimethylethyl Ester
• [(1S,2R)-1-Benzyl-2-hydroxy-3-[isobutyl[(4-nitro-phenyl)sulfonyl)]amino]propyl]-carbamic Acid tert-Butyl Ester
• tert-Butyl (2S,3R)-3-hydroxy-4-(N-isobutyl-4-nitrophenylsulfonamido)-1-phenylbutan-2-ylcarbamate
• tert-butyl [(2S,3R)-3-hydroxy-4-{(2-methylpropyl)[(4-nitrophenyl)sulfonyl]amino}-1-phenylbutan-2-yl]carbamate
• tert-Butyl [(1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl[(4-nitrophenyl)sulfonyl]amino]propyl]carbamate
• tert-Butyl[(1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl[(4-nitrophenyl)sulfonyl]amino]propyl]carbamate

Carbamic acid, N-[(1S,2R)-2-hydroxy-3-[(2-methylpropyl)[(4-nitrophenyl)sulfonyl]amino]-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester

CAS: 191226-98-9

• Formula: C₂₅H₃₅N₃O₇S
• Color and Shape: Solid
• Molecular weight: 521.6263

tert-Butyl N-[(1S,2R)-1-Benzyl-2-hydroxy-3-[(2-methylpropyl)[(4-nitrophenyl)sulfonyl]amino]propyl]carbamate

CAS: 191226-98-9

• Formula: C₂₅H₃₅N₃O₇S
• Color and Shape: Neat
• Molecular weight: 521.63

[(1S,2R)-1-Benzyl-2-hydroxy-3-[isobutyl[(4-nitro-phenyl)sulfonyl)]amino]propyl]-carbamic acid tert-butyl ester

CAS: 191226-98-9

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• Formula: C₂₅H₃₅N₃O₇S
• Purity: Min. 95%
• Color and Shape: Solid
• Molecular weight: 521.63 g/mol