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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H27N3O5S
Molecular Weight 421.51
Optical Activity ( + )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-((2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL)-N-(2-METHYLPROPYL)-4-NITROBENZENESULFONAMIDE

SMILES

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

InChI

InChIKey=BPRSPRGTVGSTKD-VQTJNVASSA-N
InChI=1S/C20H27N3O5S/c1-15(2)13-22(14-20(24)19(21)12-16-6-4-3-5-7-16)29(27,28)18-10-8-17(9-11-18)23(25)26/h3-11,15,19-20,24H,12-14,21H2,1-2H3/t19-,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H27N3O5S
Molecular Weight 421.51
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 Sat Dec 16 18:59:49 GMT 2023
Edited
by admin
on Sat Dec 16 18:59:49 GMT 2023
Record UNII
ZCS43QNB97
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-((2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL)-N-(2-METHYLPROPYL)-4-NITROBENZENESULFONAMIDE
Systematic Name English
BENZENESULFONAMIDE, N-((2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL)-N-(2-METHYLPROPYL)-4-NITRO-
Systematic Name English
N-((2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL)-N-ISOBUTYL-4-NITROBENZENESULFONAMIDE
Systematic Name English
Code System Code Type Description
CAS
251105-80-3
Created by admin on Sat Dec 16 18:59:49 GMT 2023 , Edited by admin on Sat Dec 16 18:59:49 GMT 2023
PRIMARY
FDA UNII
ZCS43QNB97
Created by admin on Sat Dec 16 18:59:49 GMT 2023 , Edited by admin on Sat Dec 16 18:59:49 GMT 2023
PRIMARY
PUBCHEM
10112927
Created by admin on Sat Dec 16 18:59:49 GMT 2023 , Edited by admin on Sat Dec 16 18:59:49 GMT 2023
PRIMARY