calcium (2R)-3-phenyl-2-[(4-propan-2-ylcyclohexyl)carbonylamino]propanoate

Systemtic Name: calcium (2R)-3-phenyl-2-[(4-propan-2-ylcyclohexyl)carbonylamino]propanoate Openeye Name: calcium (2R)-2-[(4-isopropylcyclohexanecarbonyl)amino]-3-phenyl-propanoate CAS Name: calcium (2R)-2-[[oxo-(4-propan-2-ylcyclohexyl)methyl]amino]-3-phenylpropanoate IUPAC Name: calcium (2R)-3-phenyl-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]propanoate Traditional Name: calcium (2R)-2-[(4-isopropylcyclohexanecarbonyl)amino]-3-phenyl-propionate Formula: C38H52CaN2O6 MolecularWeight: 672.90728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CCC(CC1)C(=O)NC(CC2=CC=CC=C2)C(=O)[O-].CC(C)C1CCC(CC1)C(=O)NC(CC2=CC=CC=C2)C(=O)[O-].[Ca+2]

Isomeric SMILES

CC(C)C1CCC(CC1)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-].CC(C)C1CCC(CC1)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-].[Ca+2]

InChI

InChI=1S/2C19H27NO3.Ca/c2*1-13(2)15-8-10-16(11-9-15)18(21)20-17(19(22)23)12-14-6-4-3-5-7-14;/h2*3-7,13,15-17H,8-12H2,1-2H3,(H,20,21)(H,22,23);/q;;+2/p-2/t2*15?,16?,17-;/m11./s1