(phenylmethyl) (2R)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate

Systemtic Name: (phenylmethyl) (2R)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate Openeye Name: benzyl (2R)-2-(adamantane-1-carbonylamino)-3-methyl-butanoate CAS Name: (2R)-2-[[1-adamantyl(oxo)methyl]amino]-3-methylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2R)-2-(adamantane-1-carbonylamino)-3-methylbutanoate Traditional Name: (2R)-2-(adamantane-1-carbonylamino)-3-methyl-butyric acid benzyl ester Formula: C23H31NO3 MolecularWeight: 369.49714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)[C@H](C(=O)OCC1=CC=CC=C1)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H31NO3/c1-15(2)20(21(25)27-14-16-6-4-3-5-7-16)24-22(26)23-11-17-8-18(12-23)10-19(9-17)13-23/h3-7,15,17-20H,8-14H2,1-2H3,(H,24,26)/t17?,18?,19?,20-,23?/m1/s1