[4-[3-(1-adamantylamino)-3-oxidanylidene-propyl]-2-(2-azanylethanoyloxy)phenyl] 2-azanylethanoate

Systemtic Name: [4-[3-(1-adamantylamino)-3-oxidanylidene-propyl]-2-(2-azanylethanoyloxy)phenyl] 2-azanylethanoate Openeye Name: [4-[3-(1-adamantylamino)-3-oxo-propyl]-2-(2-aminoacetyl)oxy-phenyl] 2-aminoacetate CAS Name: 2-aminoacetic acid [4-[3-(1-adamantylamino)-3-oxopropyl]-2-(2-amino-1-oxoethoxy)phenyl] ester IUPAC Name: [4-[3-(1-adamantylamino)-3-oxopropyl]-2-(2-aminoacetyl)oxyphenyl] 2-aminoacetate Traditional Name: 2-aminoacetic acid [4-[3-(1-adamantylamino)-3-keto-propyl]-2-glycyloxy-phenyl] ester Formula: C23H31N3O5 MolecularWeight: 429.50934

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CCC4=CC(=C(C=C4)OC(=O)CN)OC(=O)CN

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CCC4=CC(=C(C=C4)OC(=O)CN)OC(=O)CN

InChI

InChI=1S/C23H31N3O5/c24-12-21(28)30-18-3-1-14(8-19(18)31-22(29)13-25)2-4-20(27)26-23-9-15-5-16(10-23)7-17(6-15)11-23/h1,3,8,15-17H,2,4-7,9-13,24-25H2,(H,26,27)