7-oxidanylidene-7-[[1-oxidanylidene-1-(phenethylamino)-3-phenyl-propan-2-yl]-(phenylmethyl)amino]heptanoic acid

Systemtic Name: 7-oxidanylidene-7-[[1-oxidanylidene-1-(phenethylamino)-3-phenyl-propan-2-yl]-(phenylmethyl)amino]heptanoic acid Openeye Name: 7-[benzyl-[1-benzyl-2-oxo-2-(phenethylamino)ethyl]amino]-7-oxo-heptanoic acid CAS Name: 7-oxo-7-[[1-oxo-1-(phenethylamino)-3-phenylpropan-2-yl]-(phenylmethyl)amino]heptanoic acid IUPAC Name: 7-[benzyl-[1-oxo-1-(phenethylamino)-3-phenylpropan-2-yl]amino]-7-oxoheptanoic acid Traditional Name: 7-[benzyl-[1-benzyl-2-keto-2-(phenethylamino)ethyl]amino]-7-keto-enanthic acid Formula: C31H36N2O4 MolecularWeight: 500.62854

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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)CCCCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C31H36N2O4/c34-29(19-11-4-12-20-30(35)36)33(24-27-17-9-3-10-18-27)28(23-26-15-7-2-8-16-26)31(37)32-22-21-25-13-5-1-6-14-25/h1-3,5-10,13-18,28H,4,11-12,19-24H2,(H,32,37)(H,35,36)