oxetan-3-yl 3-[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-3-phenyl-propanoyl]oxyadamantane-1-carboxylate

Systemtic Name: oxetan-3-yl 3-[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-3-phenyl-propanoyl]oxyadamantane-1-carboxylate Openeye Name: oxetan-3-yl 3-[(2R,3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-3-phenyl-propanoyl]oxyadamantane-1-carboxylate CAS Name: 3-[(2R,3S)-2-hydroxy-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropoxy]-1-adamantanecarboxylic acid 3-oxetanyl ester IUPAC Name: oxetan-3-yl 3-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxyadamantane-1-carboxylate Traditional Name: 3-[(2R,3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-3-phenyl-propanoyl]oxyadamantane-1-carboxylic acid oxetan-3-yl ester Formula: C28H37NO8 MolecularWeight: 515.59528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C1=CC=CC=C1)C(C(=O)OC23CC4CC(C2)CC(C4)(C3)C(=O)OC5COC5)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](C1=CC=CC=C1)[C@H](C(=O)OC23CC4CC(C2)CC(C4)(C3)C(=O)OC5COC5)O

InChI

InChI=1S/C28H37NO8/c1-26(2,3)37-25(33)29-21(19-7-5-4-6-8-19)22(30)23(31)36-28-12-17-9-18(13-28)11-27(10-17,16-28)24(32)35-20-14-34-15-20/h4-8,17-18,20-22,30H,9-16H2,1-3H3,(H,29,33)/t17?,18?,21-,22+,27?,28?/m0/s1