calcium 4-benzamido-5-(dipropylamino)-5-oxidanylidene-pentanoate

Systemtic Name: calcium 4-benzamido-5-(dipropylamino)-5-oxidanylidene-pentanoate Openeye Name: calcium 4-benzamido-5-(dipropylamino)-5-oxo-pentanoate CAS Name: calcium 4-benzamido-5-(dipropylamino)-5-oxopentanoate IUPAC Name: calcium 4-benzamido-5-(dipropylamino)-5-oxopentanoate Traditional Name: calcium 4-benzamido-5-(dipropylamino)-5-keto-valerate Formula: C36H50CaN4O8 MolecularWeight: 706.8822

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C(CCC(=O)[O-])NC(=O)C1=CC=CC=C1.CCCN(CCC)C(=O)C(CCC(=O)[O-])NC(=O)C1=CC=CC=C1.[Ca+2]

Isomeric SMILES

CCCN(CCC)C(=O)C(CCC(=O)[O-])NC(=O)C1=CC=CC=C1.CCCN(CCC)C(=O)C(CCC(=O)[O-])NC(=O)C1=CC=CC=C1.[Ca+2]

InChI

InChI=1S/2C18H26N2O4.Ca/c2*1-3-12-20(13-4-2)18(24)15(10-11-16(21)22)19-17(23)14-8-6-5-7-9-14;/h2*5-9,15H,3-4,10-13H2,1-2H3,(H,19,23)(H,21,22);/q;;+2/p-2