(2S)-2-(2-adamantyloxycarbonylamino)-2-methyl-3-quinolin-2-yl-propanoic acid

Systemtic Name: (2S)-2-(2-adamantyloxycarbonylamino)-2-methyl-3-quinolin-2-yl-propanoic acid Openeye Name: (2S)-2-(2-adamantyloxycarbonylamino)-2-methyl-3-(2-quinolyl)propanoic acid CAS Name: (2S)-2-[[2-adamantyloxy(oxo)methyl]amino]-2-methyl-3-(2-quinolinyl)propanoic acid IUPAC Name: (2S)-2-(2-adamantyloxycarbonylamino)-2-methyl-3-quinolin-2-ylpropanoic acid Traditional Name: (2S)-2-(2-adamantyloxycarbonylamino)-2-methyl-3-(2-quinolyl)propionic acid Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=NC2=CC=CC=C2C=C1)(C(=O)O)NC(=O)OC3C4CC5CC(C4)CC3C5

Isomeric SMILES

C[C@](CC1=NC2=CC=CC=C2C=C1)(C(=O)O)NC(=O)OC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C24H28N2O4/c1-24(22(27)28,13-19-7-6-16-4-2-3-5-20(16)25-19)26-23(29)30-21-17-9-14-8-15(11-17)12-18(21)10-14/h2-7,14-15,17-18,21H,8-13H2,1H3,(H,26,29)(H,27,28)/t14?,15?,17?,18?,21?,24-/m0/s1