TERT-BUTYL (2S)-2-(TERT-BUTOXYCARBONYLAMINO)-3-(((3-CHLORO-2-METHYL-5-SULFOPHENYL)CARBAMOYL)AMINO)PROPANOATE

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

Structure Search

SMILES

CC1=C(NC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C=C(C=C1Cl)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

Molecular Formula	C20H30ClN3O8S
Molecular Weight	507.986
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 13:51:14 GMT 2025` Edited by `admin` on `Wed Apr 02 13:51:14 GMT 2025`
Record UNII	4985U5GP93
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

L-ALANINE, 3-((((3-CHLORO-2-METHYL-5-SULFOPHENYL)AMINO)CARBONYL)AMINO)-N-((1,1-DIMETHYLETHOXY)CARBONYL)-, 1-(1,1-DIMETHYLETHYL) ESTER

Preferred Name

English

TERT-BUTYL (2S)-2-(TERT-BUTOXYCARBONYLAMINO)-3-(((3-CHLORO-2-METHYL-5-SULFOPHENYL)CARBAMOYL)AMINO)PROPANOATE

Systematic Name

English

Code System Code Type Description

PUBCHEM

163203579

Created by admin on Wed Apr 02 13:51:14 GMT 2025 , Edited by admin on Wed Apr 02 13:51:14 GMT 2025

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CAS

2052969-19-2

Created by admin on Wed Apr 02 13:51:14 GMT 2025 , Edited by admin on Wed Apr 02 13:51:14 GMT 2025

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FDA UNII

4985U5GP93

Created by admin on Wed Apr 02 13:51:14 GMT 2025 , Edited by admin on Wed Apr 02 13:51:14 GMT 2025

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Related Record Type Details


					S7336XCJ69

TERT-BUTYL (2S)-2-(TERT-BUTOXYCARBONYLAMINO)-3-(((3-CHLORO-2-METHYL-5-SULFOPHENYL)CARBAMOYL)AMINO)PROPANOATE TRIETHANOLAMINE

SALT/SOLVATE -> PARENT

Amount: