Ethyl 2-[[2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonylamino]acetyl]amino]acetate

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Basic information

CAS: 7478-87-7
Standard SMILES: CCOC(=O)CNC(=O)CNS(=O)(=O)CCN1C(=O)c2ccccc2C1=O
InChIKey: ONEDNEKFERDASY-UHFFFAOYSA-N
Molecular formula: C16H19N3O7S
Average molar mass: 397.4 g/mol
Monoisotopic mass: 397.09437113

Names & identifiers

Preferred name: Ethyl 2-[[2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonylamino]acetyl]amino]acetate
IUPAC: ethyl 2-[[2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonylamino]acetyl]amino]acetate

Names & synonyms

7478-87-7NSC401550ethyl 2-[[2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonylamino]acetyl]amino]acetateDTXSID70322569NSC-401550Ethyl N-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethanesulfonyl]glycylglycinate

Database identifiers

CAS: 7478-87-7
PubChem CID: 344573
DTXSID: DTXSID70322569

Properties

Computed structural properties

XLogP: -0.4
Topological polar surface area: 147 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 10
Heavy atoms: 27
Formal charge: 0
Complexity: 677

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Compound notes

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