(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 3-(1-adamantylcarbamoylamino)propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4/c23-20(27)19(17-4-2-1-3-5-17)29-18(26)6-7-24-21(28)25-22-11-14-8-15(12-22)10-16(9-14)13-22/h1-5,14-16,19H,6-13H2,(H2,23,27)(H2,24,25,28)