methyl (2S)-2-(1-adamantylmethylcarbamoylamino)-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-(1-adamantylmethylcarbamoylamino)-3-phenyl-propanoate Openeye Name: methyl (2S)-2-(1-adamantylmethylcarbamoylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[(1-adamantylmethylamino)-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-(1-adamantylmethylcarbamoylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(1-adamantylmethylcarbamoylamino)-3-phenyl-propionic acid methyl ester Formula: C22H30N2O3 MolecularWeight: 370.4852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H30N2O3/c1-27-20(25)19(10-15-5-3-2-4-6-15)24-21(26)23-14-22-11-16-7-17(12-22)9-18(8-16)13-22/h2-6,16-19H,7-14H2,1H3,(H2,23,24,26)/t16?,17?,18?,19-,22?/m0/s1