(2S)-2-(1-adamantyl)-2-[(3,5-dimethoxyphenyl)carbonylamino]ethanoic acid

Systemtic Name: (2S)-2-(1-adamantyl)-2-[(3,5-dimethoxyphenyl)carbonylamino]ethanoic acid Openeye Name: (2S)-2-(1-adamantyl)-2-[(3,5-dimethoxybenzoyl)amino]acetic acid CAS Name: (2S)-2-(1-adamantyl)-2-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]acetic acid IUPAC Name: (2S)-2-(1-adamantyl)-2-[(3,5-dimethoxybenzoyl)amino]acetic acid Traditional Name: (2S)-2-(1-adamantyl)-2-[(3,5-dimethoxybenzoyl)amino]acetic acid Formula: C21H27NO5 MolecularWeight: 373.44278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NC(C(=O)O)C23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)N[C@H](C(=O)O)C23CC4CC(C2)CC(C4)C3)OC

InChI

InChI=1S/C21H27NO5/c1-26-16-6-15(7-17(8-16)27-2)19(23)22-18(20(24)25)21-9-12-3-13(10-21)5-14(4-12)11-21/h6-8,12-14,18H,3-5,9-11H2,1-2H3,(H,22,23)(H,24,25)/t12?,13?,14?,18-,21?/m1/s1