[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-[(5S,7S)-3-oxidanyl-1-adamantyl]ethanoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-[(5S,7S)-3-oxidanyl-1-adamantyl]ethanoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 2-[(5S,7S)-3-hydroxy-1-adamantyl]acetate CAS Name: 2-[(5S,7S)-3-hydroxy-1-adamantyl]acetic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-[(5S,7S)-3-hydroxy-1-adamantyl]acetate Traditional Name: 2-[(5S,7S)-3-hydroxy-1-adamantyl]acetic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C25H37NO4 MolecularWeight: 415.56558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CC45CC6CC(C4)CC(C6)(C5)O

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CC45C[C@@H]6C[C@@H](C4)CC(C6)(C5)O

InChI

InChI=1S/C25H37NO4/c1-15(22(28)26-24-8-16-2-17(9-24)4-18(3-16)10-24)30-21(27)13-23-6-19-5-20(7-23)12-25(29,11-19)14-23/h15-20,29H,2-14H2,1H3,(H,26,28)/t15-,16?,17?,18?,19+,20+,23?,24?,25?/m1/s1