carboxymethyl-[(2S)-2-(dioctylamino)-3-phenyl-propanoyl]azanide; copper(1+)

Systemtic Name: carboxymethyl-[(2S)-2-(dioctylamino)-3-phenyl-propanoyl]azanide; copper(1+) Openeye Name: cuprous carboxymethyl-[(2S)-2-(dioctylamino)-3-phenyl-propanoyl]azanide CAS Name: carboxymethyl-[(2S)-2-(dioctylamino)-1-oxo-3-phenylpropyl]azanide; copper(1+) IUPAC Name: carboxymethyl-[(2S)-2-(dioctylamino)-3-phenylpropanoyl]azanide; copper(1+) Traditional Name: cuprous carboxymethyl-[(2S)-2-(dioctylamino)-3-phenyl-propanoyl]azanide Formula: C27H45CuN2O3 MolecularWeight: 509.2038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCCCCCCC)C(CC1=CC=CC=C1)C(=O)[N-]CC(=O)O.[Cu+]

Isomeric SMILES

CCCCCCCCN(CCCCCCCC)[C@@H](CC1=CC=CC=C1)C(=O)[N-]CC(=O)O.[Cu+]

InChI

InChI=1S/C27H46N2O3.Cu/c1-3-5-7-9-11-16-20-29(21-17-12-10-8-6-4-2)25(27(32)28-23-26(30)31)22-24-18-14-13-15-19-24;/h13-15,18-19,25H,3-12,16-17,20-23H2,1-2H3,(H2,28,30,31,32);/q;+1/p-1/t25-;/m0./s1