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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H33N3O4/c1-15-4-3-5-20(8-15)26-22(29)16(2)31-21(28)6-7-25-23(30)27-24-12-17-9-18(13-24)11-19(10-17)14-24/h3-5,8,16-19H,6-7,9-14H2,1-2H3,(H,26,29)(H2,25,27,30)