(2-oxidanylidene-2-phenylazanyl-ethyl) 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: (2-anilino-2-oxo-ethyl) 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid (2-anilino-2-keto-ethyl) ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4/c26-19(24-18-4-2-1-3-5-18)14-29-20(27)6-7-23-21(28)25-22-11-15-8-16(12-22)10-17(9-15)13-22/h1-5,15-17H,6-14H2,(H,24,26)(H2,23,25,28)