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

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCC(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C23H31N3O4/c27-20(25-14-16-4-2-1-3-5-16)15-30-21(28)6-7-24-22(29)26-23-11-17-8-18(12-23)10-19(9-17)13-23/h1-5,17-19H,6-15H2,(H,25,27)(H2,24,26,29)