8-oxidanylidene-8-[[1-oxidanylidene-1-(phenethylamino)-3-phenyl-propan-2-yl]-(phenylmethyl)amino]octanoic acid

Systemtic Name: 8-oxidanylidene-8-[[1-oxidanylidene-1-(phenethylamino)-3-phenyl-propan-2-yl]-(phenylmethyl)amino]octanoic acid Openeye Name: 8-[benzyl-[1-benzyl-2-oxo-2-(phenethylamino)ethyl]amino]-8-oxo-octanoic acid CAS Name: 8-oxo-8-[[1-oxo-1-(phenethylamino)-3-phenylpropan-2-yl]-(phenylmethyl)amino]octanoic acid IUPAC Name: 8-[benzyl-[1-oxo-1-(phenethylamino)-3-phenylpropan-2-yl]amino]-8-oxooctanoic acid Traditional Name: 8-[benzyl-[1-benzyl-2-keto-2-(phenethylamino)ethyl]amino]-8-keto-caprylic acid Formula: C32H38N2O4 MolecularWeight: 514.65512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C(CC2=CC=CC=C2)N(CC3=CC=CC=C3)C(=O)CCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C(CC2=CC=CC=C2)N(CC3=CC=CC=C3)C(=O)CCCCCCC(=O)O

InChI

InChI=1S/C32H38N2O4/c35-30(20-12-1-2-13-21-31(36)37)34(25-28-18-10-5-11-19-28)29(24-27-16-8-4-9-17-27)32(38)33-23-22-26-14-6-3-7-15-26/h3-11,14-19,29H,1-2,12-13,20-25H2,(H,33,38)(H,36,37)