L-Glutamic acid, N-((4-((ethoxycarbonyl)amino)phenyl)sulfonyl)-, diethyl ester

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Basic information

CAS: 81865-27-2
Standard SMILES: CCOC(=O)CC[C@H](NS(=O)(=O)c1ccc(NC(=O)OCC)cc1)C(=O)OCC
InChIKey: KJXXVELLSUXNNZ-HNNXBMFYSA-N
Molecular formula: C18H26N2O8S
Average molar mass: 430.5 g/mol
Monoisotopic mass: 430.14098697

Names & identifiers

Preferred name: L-Glutamic acid, N-((4-((ethoxycarbonyl)amino)phenyl)sulfonyl)-, diethyl ester
IUPAC: diethyl (2S)-2-[[4-(ethoxycarbonylamino)phenyl]sulfonylamino]pentanedioate

Names & synonyms

BRN 5173891L-Glutamic acid, N-((4-((ethoxycarbonyl)amino)phenyl)sulfonyl)-, diethyl ester81865-27-2Diethyl N-((4-((ethoxycarbonyl)amino)phenyl)sulfonyl)-L-glutamateDTXSID40231432RefChem:350666DTXCID40153923Diethyl N-{4-[(ethoxycarbonyl)amino]benzene-1-sulfonyl}-L-glutamate

Database identifiers

CAS: 81865-27-2
PubChem CID: 3067705
DTXSID: DTXSID40231432

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 145 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 9
Rotatable bonds: 14
Heavy atoms: 29
Formal charge: 0
Complexity: 639

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Compound notes

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