[2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-(4-carbamoylanilino)-2-oxo-ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [2-(4-carbamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-carbamoylanilino)-2-oxoethyl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-(4-carbamoylanilino)-2-keto-ethyl] ester Formula: C23H30N4O5 MolecularWeight: 442.5081

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCC(=O)NC4=CC=C(C=C4)C(=O)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCC(=O)NC4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C23H30N4O5/c24-21(30)17-1-3-18(4-2-17)26-19(28)13-32-20(29)5-6-25-22(31)27-23-10-14-7-15(11-23)9-16(8-14)12-23/h1-4,14-16H,5-13H2,(H2,24,30)(H,26,28)(H2,25,27,31)