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

C₂₅H₃₇N₃O₅SCAS 183004-94-6491.65 g/mol

Open in Covalent MOL file

Alcohol Carbamate Primary amine Sulfonamide

Properties

Molecular formula: C₂₅H₃₇N₃O₅S
Molar mass: 491.65 g/mol
Exact mass: 491.2454 Da
logP: 3.41Crippen estimate
Polar surface area: 122.0 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 10
Stereocentres: R, Sin SMILES atom order

Identifiers

CAS number

183004-94-6

SMILES

CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)OC(C)(C)C)O)S(=O)(=O)C2=CC=C(C=C2)N

InChIKey

GSFKNEPGHWUCQO-XZOQPEGZSA-N

InChI

InChI=1S/C25H37N3O5S/c1-18(2)16-28(34(31,32)21-13-11-20(26)12-14-21)17-23(29)22(15-19-9-7-6-8-10-19)27-24(30)33-25(3,4)5/h6-14,18,22-23,29H,15-17,26H2,1-5H3,(H,27,30)/t22-,23+/m0/s1

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Names and synonyms

1 names

tert-Butyl ((2S,3R)-4-(4-amino-N-isobutylphenylsulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamate

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

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Similar compounds

4-Amino-N-((2R,3S)-3-amino-2-hydroxy-4-phenylbutyl)-N-isobutylbenzenesulfonamide169280-56-262 % similar Amprenavir161814-49-954 % similar Fosamprenavir calcium226700-81-853 % similar tert-Butyl [(1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl[(4-nitrophenyl)sulfonyl]amino]propyl]carbamate191226-98-952 % similar Darunavir206361-99-151 % similar Fosamprenavir226700-79-444 % similar (S)-(-)-1-Benzyl-3-(boc-amino)pyrrolidine131852-53-439 % similar (3R)-(+)-1-Benzyl-3-(tert-butoxycarbonylamino)pyrrolidine131878-23-439 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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