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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H35N3O7S
Molecular Weight 521.626
Optical Activity ( + )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of tert-Butyl [(1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl[(4-nitrophenyl)sulfonyl]amino]propyl]carbamate

SMILES

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

InChI

InChIKey=CQGKCZKCWMWXQP-XZOQPEGZSA-N
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

HIDE SMILES / InChI

Molecular Formula C25H35N3O7S
Molecular Weight 521.626
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 09:43:10 GMT 2025
Edited
by admin
on Wed Apr 02 09:43:10 GMT 2025
Record UNII
OE78P236FW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
tert-Butyl [(1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl[(4-nitrophenyl)sulfonyl]amino]propyl]carbamate
Systematic Name English
Carbamic acid, N-[(1S,2R)-2-hydroxy-3-[(2-methylpropyl)[(4-nitrophenyl)sulfonyl]amino]-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester
Preferred Name English
Code System Code Type Description
PUBCHEM
10279676
Created by admin on Wed Apr 02 09:43:10 GMT 2025 , Edited by admin on Wed Apr 02 09:43:10 GMT 2025
PRIMARY
EPA CompTox
DTXSID80437719
Created by admin on Wed Apr 02 09:43:10 GMT 2025 , Edited by admin on Wed Apr 02 09:43:10 GMT 2025
PRIMARY
FDA UNII
OE78P236FW
Created by admin on Wed Apr 02 09:43:10 GMT 2025 , Edited by admin on Wed Apr 02 09:43:10 GMT 2025
PRIMARY
CAS
191226-98-9
Created by admin on Wed Apr 02 09:43:10 GMT 2025 , Edited by admin on Wed Apr 02 09:43:10 GMT 2025
PRIMARY