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

Systemtic Name: (2S)-2-[[(2S)-2-(dioctylamino)-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[(2S)-2-(dioctylamino)-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[(2S)-2-(dioctylamino)-1-oxo-3-phenylpropyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[(2S)-2-(dioctylamino)-3-phenylpropanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[(2S)-2-(dioctylamino)-3-phenyl-propanoyl]amino]-3-phenyl-propionic acid Formula: C34H52N2O3 MolecularWeight: 536.78828

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C34H52N2O3/c1-3-5-7-9-11-19-25-36(26-20-12-10-8-6-4-2)32(28-30-23-17-14-18-24-30)33(37)35-31(34(38)39)27-29-21-15-13-16-22-29/h13-18,21-24,31-32H,3-12,19-20,25-28H2,1-2H3,(H,35,37)(H,38,39)/t31-,32-/m0/s1