(2S)-2-[2-(dioctylamino)ethanoylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[2-(dioctylamino)ethanoylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[2-(dioctylamino)acetyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[2-(dioctylamino)-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[2-(dioctylamino)acetyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[2-(dioctylamino)acetyl]amino]-3-phenyl-propionic acid Formula: C27H46N2O3 MolecularWeight: 446.66574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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