2-(1-adamantyloxycarbonylamino)-3-(2-carbamimidoylphenyl)propanoic acid

Systemtic Name: 2-(1-adamantyloxycarbonylamino)-3-(2-carbamimidoylphenyl)propanoic acid Openeye Name: 2-(1-adamantyloxycarbonylamino)-3-(2-carbamimidoylphenyl)propanoic acid CAS Name: 2-[[1-adamantyloxy(oxo)methyl]amino]-3-(2-carbamimidoylphenyl)propanoic acid IUPAC Name: 2-(1-adamantyloxycarbonylamino)-3-(2-carbamimidoylphenyl)propanoic acid Traditional Name: 2-(1-adamantyloxycarbonylamino)-3-(2-amidinophenyl)propionic acid Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)OC(=O)NC(CC4=CC=CC=C4C(=N)N)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)OC(=O)NC(CC4=CC=CC=C4C(=N)N)C(=O)O

InChI

InChI=1S/C21H27N3O4/c22-18(23)16-4-2-1-3-15(16)8-17(19(25)26)24-20(27)28-21-9-12-5-13(10-21)7-14(6-12)11-21/h1-4,12-14,17H,5-11H2,(H3,22,23)(H,24,27)(H,25,26)