magnesium (3S)-2-[(2S)-2-[(2S)-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]azanidylpropanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: magnesium (3S)-2-[(2S)-2-[(2S)-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]azanidylpropanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: magnesium (3S)-2-[(2S)-2-[(1S)-1-ethoxycarbonyl-3-phenyl-propyl]azanidylpropanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: magnesium (3S)-2-[(2S)-2-[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]azanidyl-1-oxopropyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: magnesium (3S)-2-[(2S)-2-[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]azanidylpropanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: magnesium (3S)-2-[(2S)-2-[(1S)-1-carbethoxy-3-phenyl-propyl]azanidylpropanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Formula: C25H28MgN2O5 MolecularWeight: 460.80522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)[N-]C(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-].[Mg+2]

Isomeric SMILES

CCOC(=O)[C@H](CCC1=CC=CC=C1)[N-][C@@H](C)C(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)[O-].[Mg+2]

InChI

InChI=1S/C25H29N2O5.Mg/c1-3-32-25(31)21(14-13-18-9-5-4-6-10-18)26-17(2)23(28)27-16-20-12-8-7-11-19(20)15-22(27)24(29)30;/h4-12,17,21-22H,3,13-16H2,1-2H3,(H,29,30);/q-1;+2/p-1/t17-,21-,22-;/m0./s1