2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]adamantane-2-carboxylic acid

Systemtic Name: 2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]adamantane-2-carboxylic acid Openeye Name: 2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]adamantane-2-carboxylic acid CAS Name: 2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-2-adamantanecarboxylic acid IUPAC Name: 2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]adamantane-2-carboxylic acid Traditional Name: 2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]adamantane-2-carboxylic acid Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O4/c21-17(10-11-1-3-16(23)4-2-11)18(24)22-20(19(25)26)14-6-12-5-13(8-14)9-15(20)7-12/h1-4,12-15,17,23H,5-10,21H2,(H,22,24)(H,25,26)/t12?,13?,14?,15?,17-,20?/m0/s1