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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H31N3O5S
Molecular Weight 449.564
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl N-[(1S,2R)-3-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamate

SMILES

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

InChI

InChIKey=MCKQAQBPQJWKNY-LEWJYISDSA-N
InChI=1S/C22H31N3O5S/c1-16(2)14-25(31(28,29)19-11-9-18(23)10-12-19)15-21(26)20(24-22(27)30-3)13-17-7-5-4-6-8-17/h4-12,16,20-21,26H,13-15,23H2,1-3H3,(H,24,27)/t20-,21+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
methyl N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Preferred Name English
Methyl N-[(1S,2R)-3-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamate
Systematic Name English
Code System Code Type Description
CAS
1526916-57-3
Created by admin on Wed Apr 02 19:49:05 GMT 2025 , Edited by admin on Wed Apr 02 19:49:05 GMT 2025
PRIMARY
PUBCHEM
143934388
Created by admin on Wed Apr 02 19:49:05 GMT 2025 , Edited by admin on Wed Apr 02 19:49:05 GMT 2025
PRIMARY
FDA UNII
79Z9RK6UWV
Created by admin on Wed Apr 02 19:49:05 GMT 2025 , Edited by admin on Wed Apr 02 19:49:05 GMT 2025
PRIMARY