[1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-(benzylamino)-1-methyl-2-oxo-ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [1-(benzylamino)-1-oxopropan-2-yl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C24H33N3O4 MolecularWeight: 427.53652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)OC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1)OC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H33N3O4/c1-16(22(29)26-15-17-5-3-2-4-6-17)31-21(28)7-8-25-23(30)27-24-12-18-9-19(13-24)11-20(10-18)14-24/h2-6,16,18-20H,7-15H2,1H3,(H,26,29)(H2,25,27,30)