[6-(1-adamantylcarbamoyl)-3-(2-azanylethanoyloxy)-7,8-dihydronaphthalen-2-yl] 2-azanylethanoate

Systemtic Name: [6-(1-adamantylcarbamoyl)-3-(2-azanylethanoyloxy)-7,8-dihydronaphthalen-2-yl] 2-azanylethanoate Openeye Name: [6-(1-adamantylcarbamoyl)-3-(2-aminoacetyl)oxy-7,8-dihydronaphthalen-2-yl] 2-aminoacetate CAS Name: 2-aminoacetic acid [6-[(1-adamantylamino)-oxomethyl]-3-(2-amino-1-oxoethoxy)-7,8-dihydronaphthalen-2-yl] ester IUPAC Name: [6-(1-adamantylcarbamoyl)-3-(2-aminoacetyl)oxy-7,8-dihydronaphthalen-2-yl] 2-aminoacetate Traditional Name: 2-aminoacetic acid [6-(1-adamantylcarbamoyl)-3-glycyloxy-7,8-dihydronaphthalen-2-yl] ester Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC2=CC(=C(C=C21)OC(=O)CN)OC(=O)CN)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CC(=CC2=CC(=C(C=C21)OC(=O)CN)OC(=O)CN)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H31N3O5/c26-12-22(29)32-20-7-17-1-2-18(6-19(17)8-21(20)33-23(30)13-27)24(31)28-25-9-14-3-15(10-25)5-16(4-14)11-25/h6-8,14-16H,1-5,9-13,26-27H2,(H,28,31)