[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] (3R)-3-acetamido-3-phenyl-propanoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] (3R)-3-acetamido-3-phenyl-propanoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] (3R)-3-acetamido-3-phenyl-propanoate CAS Name: (3R)-3-acetamido-3-phenylpropanoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate Traditional Name: (3R)-3-acetamido-3-phenyl-propionic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C24H32N2O4 MolecularWeight: 412.52188

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC(=O)NCC12CC3CC(C1)CC(C3)C2)C4=CC=CC=C4

Isomeric SMILES

CC(=O)N[C@H](CC(=O)OCC(=O)NCC12CC3CC(C1)CC(C3)C2)C4=CC=CC=C4

InChI

InChI=1S/C24H32N2O4/c1-16(27)26-21(20-5-3-2-4-6-20)10-23(29)30-14-22(28)25-15-24-11-17-7-18(12-24)9-19(8-17)13-24/h2-6,17-19,21H,7-15H2,1H3,(H,25,28)(H,26,27)/t17?,18?,19?,21-,24?/m1/s1