2-[1-adamantyloxycarbonyl-(3-carbamimidoylphenyl)amino]propanoic acid

Systemtic Name: 2-[1-adamantyloxycarbonyl-(3-carbamimidoylphenyl)amino]propanoic acid Openeye Name: 2-[N-(1-adamantyloxycarbonyl)-3-carbamimidoyl-anilino]propanoic acid CAS Name: 2-(N-[1-adamantyloxy(oxo)methyl]-3-carbamimidoylanilino)propanoic acid IUPAC Name: 2-[N-(1-adamantyloxycarbonyl)-3-carbamimidoylanilino]propanoic acid Traditional Name: 2-[N-(1-adamantyloxycarbonyl)-3-amidino-anilino]propionic acid Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4/c1-12(19(25)26)24(17-4-2-3-16(8-17)18(22)23)20(27)28-21-9-13-5-14(10-21)7-15(6-13)11-21/h2-4,8,12-15H,5-7,9-11H2,1H3,(H3,22,23)(H,25,26)