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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H30ClN3O8S
Molecular Weight 507.986
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TERT-BUTYL (2S)-2-(TERT-BUTOXYCARBONYLAMINO)-3-(((3-CHLORO-2-METHYL-5-SULFOPHENYL)CARBAMOYL)AMINO)PROPANOATE

SMILES

CC1=C(Cl)C=C(C=C1NC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)S(O)(=O)=O

InChI

InChIKey=ZYGIUEZUHBJPRE-HNNXBMFYSA-N
InChI=1S/C20H30ClN3O8S/c1-11-13(21)8-12(33(28,29)30)9-14(11)23-17(26)22-10-15(16(25)31-19(2,3)4)24-18(27)32-20(5,6)7/h8-9,15H,10H2,1-7H3,(H,24,27)(H2,22,23,26)(H,28,29,30)/t15-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
TERT-BUTYL (2S)-2-(TERT-BUTOXYCARBONYLAMINO)-3-(((3-CHLORO-2-METHYL-5-SULFOPHENYL)CARBAMOYL)AMINO)PROPANOATE
Systematic Name English
L-ALANINE, 3-((((3-CHLORO-2-METHYL-5-SULFOPHENYL)AMINO)CARBONYL)AMINO)-N-((1,1-DIMETHYLETHOXY)CARBONYL)-, 1-(1,1-DIMETHYLETHYL) ESTER
Systematic Name English
Code System Code Type Description
PUBCHEM
163203579
Created by admin on Sat Dec 16 19:10:26 GMT 2023 , Edited by admin on Sat Dec 16 19:10:26 GMT 2023
PRIMARY
CAS
2052969-19-2
Created by admin on Sat Dec 16 19:10:26 GMT 2023 , Edited by admin on Sat Dec 16 19:10:26 GMT 2023
PRIMARY
FDA UNII
4985U5GP93
Created by admin on Sat Dec 16 19:10:26 GMT 2023 , Edited by admin on Sat Dec 16 19:10:26 GMT 2023
PRIMARY