Benzyl 4-(hydroxysulfamoyl)-2-phenylmethoxycarbonylamino-butanoate

HCID 320358

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Basic information

CAS: 69164-72-3
Standard SMILES: O=C(NC(CCS(=O)(=O)NO)C(=O)OCc1ccccc1)OCc1ccccc1
InChIKey: OHCLEFYOCVTUTB-UHFFFAOYSA-N
Molecular formula: C19H22N2O7S
Average molar mass: 422.5 g/mol
Monoisotopic mass: 422.11477222

Names & identifiers

Preferred name: Benzyl 4-(hydroxysulfamoyl)-2-phenylmethoxycarbonylamino-butanoate
IUPAC: benzyl 4-(hydroxysulfamoyl)-2-(phenylmethoxycarbonylamino)butanoate

Names & synonyms

69164-72-3NSC267689BENZYL 4-(HYDROXYSULFAMOYL)-2-PHENYLMETHOXYCARBONYLAMINO-BUTANOATEDTXSID70313210AG-G-68869NSC-267689DS-007241benzyl 2-(benzyloxycarbonylamino)-4-(hydroxysulfamoyl)butanoateBenzyl 2-{[(benzyloxy)carbonyl]amino}-4-(hydroxysulfamoyl)butanoateBenzyl 2-{[(benzyloxy)carbonyl]amino}-4-[(hydroxyamino)sulfonyl]butanoate

Database identifiers

CAS: 69164-72-3
PubChem CID: 320358
DTXSID: DTXSID70313210

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 139 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 8
Rotatable bonds: 12
Heavy atoms: 29
Formal charge: 0
Complexity: 609

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