2-hydroxy-5,8-dioxo-N-(2-phenylethyl)-4,7-di(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecane-4-carboxamide

HCID 314692

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Basic information

CAS: 60807-14-9
Standard SMILES: CC(C)C1C(=O)N2CCCC2C2(O)OC(C(=O)NCCc3ccccc3)(C(C)C)C(=O)N12
InChIKey: NBBAMINUJJNYOY-UHFFFAOYSA-N
Molecular formula: C24H33N3O5
Average molar mass: 443.5 g/mol
Monoisotopic mass: 443.24202116

Names & identifiers

Preferred name: 2-hydroxy-5,8-dioxo-N-(2-phenylethyl)-4,7-di(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecane-4-carboxamide
IUPAC: 2-hydroxy-5,8-dioxo-N-(2-phenylethyl)-4,7-di(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecane-4-carboxamide

Names & synonyms

60807-14-9NSC234175DTXSID50976281NSC234664NSC-234175NSC-23466460828-49-110b-Hydroxy-3,6-dioxo-N-(2-phenylethyl)-2,5-di(propan-2-yl)octahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine-2-carboximidic acid

Database identifiers

CAS: 60807-14-9、60828-49-1
PubChem CID: 314692
DTXSID: DTXSID50976281

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 99.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 32
Formal charge: 0
Complexity: 765

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