(2S)-2-[1-adamantyloxycarbonyl(carbamimidoyl)amino]-3-(3-hydroxyphenyl)propanoic acid

Systemtic Name: (2S)-2-[1-adamantyloxycarbonyl(carbamimidoyl)amino]-3-(3-hydroxyphenyl)propanoic acid Openeye Name: (2S)-2-[1-adamantyloxycarbonyl(carbamimidoyl)amino]-3-(3-hydroxyphenyl)propanoic acid CAS Name: (2S)-2-[[1-adamantyloxy(oxo)methyl]-carbamimidoylamino]-3-(3-hydroxyphenyl)propanoic acid IUPAC Name: (2S)-2-[1-adamantyloxycarbonyl(carbamimidoyl)amino]-3-(3-hydroxyphenyl)propanoic acid Traditional Name: (2S)-2-[1-adamantyloxycarbonyl(amidino)amino]-3-(3-hydroxyphenyl)propionic acid Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)OC(=O)N(C(CC4=CC(=CC=C4)O)C(=O)O)C(=N)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)OC(=O)N([C@@H](CC4=CC(=CC=C4)O)C(=O)O)C(=N)N

InChI

InChI=1S/C21H27N3O5/c22-19(23)24(17(18(26)27)8-12-2-1-3-16(25)7-12)20(28)29-21-9-13-4-14(10-21)6-15(5-13)11-21/h1-3,7,13-15,17,25H,4-6,8-11H2,(H3,22,23)(H,26,27)/t13?,14?,15?,17-,21?/m0/s1