[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [2-oxo-2-(2,4,6-trimethylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid (2-keto-2-mesidino-ethyl) ester Formula: C25H35N3O4 MolecularWeight: 441.5631

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N3O4/c1-15-6-16(2)23(17(3)7-15)27-21(29)14-32-22(30)4-5-26-24(31)28-25-11-18-8-19(12-25)10-20(9-18)13-25/h6-7,18-20H,4-5,8-14H2,1-3H3,(H,27,29)(H2,26,28,31)