methyl (2S)-2-(1-adamantyl)-2-(2,2-diphenylethanoylamino)ethanoate

Systemtic Name: methyl (2S)-2-(1-adamantyl)-2-(2,2-diphenylethanoylamino)ethanoate Openeye Name: methyl (2S)-2-(1-adamantyl)-2-[(2,2-diphenylacetyl)amino]acetate CAS Name: (2S)-2-(1-adamantyl)-2-[(1-oxo-2,2-diphenylethyl)amino]acetic acid methyl ester IUPAC Name: methyl (2S)-2-(1-adamantyl)-2-[(2,2-diphenylacetyl)amino]acetate Traditional Name: (2S)-2-(1-adamantyl)-2-[(2,2-diphenylacetyl)amino]acetic acid methyl ester Formula: C27H31NO3 MolecularWeight: 417.53994

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C12CC3CC(C1)CC(C3)C2)NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H31NO3/c1-31-26(30)24(27-15-18-12-19(16-27)14-20(13-18)17-27)28-25(29)23(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-11,18-20,23-24H,12-17H2,1H3,(H,28,29)/t18?,19?,20?,24-,27?/m1/s1