methyl 2-[1-adamantyloxycarbonyl-(3-carbamimidoylphenyl)amino]propanoate

Systemtic Name: methyl 2-[1-adamantyloxycarbonyl-(3-carbamimidoylphenyl)amino]propanoate Openeye Name: methyl 2-[N-(1-adamantyloxycarbonyl)-3-carbamimidoyl-anilino]propanoate CAS Name: 2-(N-[1-adamantyloxy(oxo)methyl]-3-carbamimidoylanilino)propanoic acid methyl ester IUPAC Name: methyl 2-[N-(1-adamantyloxycarbonyl)-3-carbamimidoylanilino]propanoate Traditional Name: 2-[N-(1-adamantyloxycarbonyl)-3-amidino-anilino]propionic acid methyl ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)N(C1=CC=CC(=C1)C(=N)N)C(=O)OC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C(=O)OC)N(C1=CC=CC(=C1)C(=N)N)C(=O)OC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H29N3O4/c1-13(20(26)28-2)25(18-5-3-4-17(9-18)19(23)24)21(27)29-22-10-14-6-15(11-22)8-16(7-14)12-22/h3-5,9,13-16H,6-8,10-12H2,1-2H3,(H3,23,24)