2-[[(2S)-2-(dioctylamino)-3-phenyl-propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(2S)-2-(dioctylamino)-3-phenyl-propanoyl]amino]ethanoic acid Openeye Name: 2-[[(2S)-2-(dioctylamino)-3-phenyl-propanoyl]amino]acetic acid CAS Name: 2-[[(2S)-2-(dioctylamino)-1-oxo-3-phenylpropyl]amino]acetic acid IUPAC Name: 2-[[(2S)-2-(dioctylamino)-3-phenylpropanoyl]amino]acetic acid Traditional Name: 2-[[(2S)-2-(dioctylamino)-3-phenyl-propanoyl]amino]acetic acid Formula: C27H46N2O3 MolecularWeight: 446.66574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCCCCCCC)C(CC1=CC=CC=C1)C(=O)NCC(=O)O

Isomeric SMILES

CCCCCCCCN(CCCCCCCC)[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)O

InChI

InChI=1S/C27H46N2O3/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,(H,28,32)(H,30,31)/t25-/m0/s1