(5-phenyl-1,2-oxazol-3-yl)methyl (2S)-2-(1-adamantylcarbonylamino)propanoate

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl (2S)-2-(1-adamantylcarbonylamino)propanoate Openeye Name: (5-phenylisoxazol-3-yl)methyl (2S)-2-(adamantane-1-carbonylamino)propanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]propanoic acid (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methyl (2S)-2-(adamantane-1-carbonylamino)propanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)propionic acid (5-phenylisoxazol-3-yl)methyl ester Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=NOC(=C1)C2=CC=CC=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@@H](C(=O)OCC1=NOC(=C1)C2=CC=CC=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H28N2O4/c1-15(25-23(28)24-11-16-7-17(12-24)9-18(8-16)13-24)22(27)29-14-20-10-21(30-26-20)19-5-3-2-4-6-19/h2-6,10,15-18H,7-9,11-14H2,1H3,(H,25,28)/t15-,16?,17?,18?,24?/m0/s1