[(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] (2R)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] (2R)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate Openeye Name: [(1R)-2-anilino-1-methyl-2-oxo-ethyl] (2R)-2-(adamantane-1-carbonylamino)-3-methyl-butanoate CAS Name: (2R)-2-[[1-adamantyl(oxo)methyl]amino]-3-methylbutanoic acid [(2R)-1-anilino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-anilino-1-oxopropan-2-yl] (2R)-2-(adamantane-1-carbonylamino)-3-methylbutanoate Traditional Name: (2R)-2-(adamantane-1-carbonylamino)-3-methyl-butyric acid [(1R)-2-anilino-2-keto-1-methyl-ethyl] ester Formula: C25H34N2O4 MolecularWeight: 426.54846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)C(=O)NC1=CC=CC=C1)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1)OC(=O)[C@@H](C(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H34N2O4/c1-15(2)21(23(29)31-16(3)22(28)26-20-7-5-4-6-8-20)27-24(30)25-12-17-9-18(13-25)11-19(10-17)14-25/h4-8,15-19,21H,9-14H2,1-3H3,(H,26,28)(H,27,30)/t16-,17?,18?,19?,21-,25?/m1/s1