ethyl (2S)-2-[[(2S)-2-(dioctylamino)-3-phenyl-propanoyl]amino]-3-phenyl-propanoate

Systemtic Name: ethyl (2S)-2-[[(2S)-2-(dioctylamino)-3-phenyl-propanoyl]amino]-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-[[(2S)-2-(dioctylamino)-3-phenyl-propanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S)-2-(dioctylamino)-1-oxo-3-phenylpropyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[(2S)-2-(dioctylamino)-3-phenylpropanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-2-(dioctylamino)-3-phenyl-propanoyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C36H56N2O3 MolecularWeight: 564.84144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCCCCCCC)C(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCCCCCCCN(CCCCCCCC)[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C36H56N2O3/c1-4-7-9-11-13-21-27-38(28-22-14-12-10-8-5-2)34(30-32-25-19-16-20-26-32)35(39)37-33(36(40)41-6-3)29-31-23-17-15-18-24-31/h15-20,23-26,33-34H,4-14,21-22,27-30H2,1-3H3,(H,37,39)/t33-,34-/m0/s1