N-[(2S)-1-oxidanylidene-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]-N'-phenylmethoxy-octanediamide

Systemtic Name: N-[(2S)-1-oxidanylidene-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]-N'-phenylmethoxy-octanediamide Openeye Name: N-[(1S)-1-benzyl-2-(benzylamino)-2-oxo-ethyl]-N'-benzyloxy-octanediamide CAS Name: N-[(2S)-1-oxo-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]-N'-phenylmethoxyoctanediamide IUPAC Name: N-[(2S)-1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-N'-phenylmethoxyoctanediamide Traditional Name: N'-benzoxy-N-[(1S)-1-benzyl-2-(benzylamino)-2-keto-ethyl]suberamide Formula: C31H37N3O4 MolecularWeight: 515.64318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCC2=CC=CC=C2)NC(=O)CCCCCCC(=O)NOCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)NCC2=CC=CC=C2)NC(=O)CCCCCCC(=O)NOCC3=CC=CC=C3

InChI

InChI=1S/C31H37N3O4/c35-29(20-12-1-2-13-21-30(36)34-38-24-27-18-10-5-11-19-27)33-28(22-25-14-6-3-7-15-25)31(37)32-23-26-16-8-4-9-17-26/h3-11,14-19,28H,1-2,12-13,20-24H2,(H,32,37)(H,33,35)(H,34,36)/t28-/m0/s1