2-{[N-(4-tert-Butylbenzoyl)valyl]oxy}-N-[hydroxy(imino)methyl]ethanimidic acid

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Basic information

CAS: 5731-60-2
Standard SMILES: CC(C)C(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OCC(=O)NC(N)=O
InChIKey: VXONSGKWQLNWBL-UHFFFAOYSA-N
Molecular formula: C19H27N3O5
Average molar mass: 377.4 g/mol
Monoisotopic mass: 377.19507097

Names & identifiers

Preferred name: 2-{[N-(4-tert-Butylbenzoyl)valyl]oxy}-N-[hydroxy(imino)methyl]ethanimidic acid
IUPAC: [2-(carbamoylamino)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate

Names & synonyms

5731-60-2DTXSID109728252-{[N-(4-tert-Butylbenzoyl)valyl]oxy}-N-[hydroxy(imino)methyl]ethanimidic acid{[N-(4-tert-Butylbenzoyl)valyl]oxy}-N-[hydroxy(imino)methyl]ethanimidic acid

Database identifiers

CAS: 5731-60-2
PubChem CID: 5223780
DTXSID: DTXSID10972825

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 128 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 27
Formal charge: 0
Complexity: 560

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Compound notes

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