methyl (2S)-3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(3-ethanoyl-1-adamantyl)carbonylamino]propanoate

Systemtic Name: methyl (2S)-3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(3-ethanoyl-1-adamantyl)carbonylamino]propanoate Openeye Name: methyl (2S)-2-[(3-acetyladamantane-1-carbonyl)amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoate CAS Name: (2S)-2-[[(3-acetyl-1-adamantyl)-oxomethyl]amino]-3-[4-[dimethylamino(oxo)methoxy]phenyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(3-acetyladamantane-1-carbonyl)amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoate Traditional Name: (2S)-2-[(3-acetyladamantane-1-carbonyl)amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propionic acid methyl ester Formula: C26H34N2O6 MolecularWeight: 470.55796

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C12CC3CC(C1)CC(C3)(C2)C(=O)NC(CC4=CC=C(C=C4)OC(=O)N(C)C)C(=O)OC

Isomeric SMILES

CC(=O)C12CC3CC(C1)CC(C3)(C2)C(=O)N[C@@H](CC4=CC=C(C=C4)OC(=O)N(C)C)C(=O)OC

InChI

InChI=1S/C26H34N2O6/c1-16(29)25-11-18-9-19(12-25)14-26(13-18,15-25)23(31)27-21(22(30)33-4)10-17-5-7-20(8-6-17)34-24(32)28(2)3/h5-8,18-19,21H,9-15H2,1-4H3,(H,27,31)/t18?,19?,21-,25?,26?/m0/s1