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

Systemtic Name: [(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate Openeye Name: [(1R)-2-anilino-1-methyl-2-oxo-ethyl] 2-[(5S,7R)-3-bromo-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid [(2R)-1-anilino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-anilino-1-oxopropan-2-yl] 2-[(5S,7R)-3-bromo-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid [(1R)-2-anilino-2-keto-1-methyl-ethyl] ester Formula: C21H26BrNO3 MolecularWeight: 420.34004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)OC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1)OC(=O)CC23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C21H26BrNO3/c1-14(19(25)23-17-5-3-2-4-6-17)26-18(24)12-20-8-15-7-16(9-20)11-21(22,10-15)13-20/h2-6,14-16H,7-13H2,1H3,(H,23,25)/t14-,15-,16+,20?,21?/m1/s1