[2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 2-[(5S,7S)-3-bromanyl-1-adamantyl]ethanoate

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 2-[(5S,7S)-3-bromanyl-1-adamantyl]ethanoate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(5S,7S)-3-bromo-1-adamantyl]acetate CAS Name: 2-[(5S,7S)-3-bromo-1-adamantyl]acetic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(5S,7S)-3-bromo-1-adamantyl]acetate Traditional Name: 2-[(5S,7S)-3-bromo-1-adamantyl]acetic acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C18H27BrN2O4 MolecularWeight: 415.32198

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)COC(=O)CC12CC3CC(C1)CC(C3)(C2)Br

Isomeric SMILES

CCCNC(=O)NC(=O)COC(=O)CC12C[C@@H]3C[C@@H](C1)CC(C3)(C2)Br

InChI

InChI=1S/C18H27BrN2O4/c1-2-3-20-16(24)21-14(22)10-25-15(23)9-17-5-12-4-13(6-17)8-18(19,7-12)11-17/h12-13H,2-11H2,1H3,(H2,20,21,22,24)/t12-,13-,17?,18?/m0/s1