N-[(2S)-1-(3-azanylpropylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-4-(octadecylamino)butanamide

Systemtic Name: N-[(2S)-1-(3-azanylpropylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-4-(octadecylamino)butanamide Openeye Name: N-[(1S)-2-(3-aminopropylamino)-1-benzyl-2-oxo-ethyl]-4-(octadecylamino)butanamide CAS Name: N-[(2S)-1-(3-aminopropylamino)-1-oxo-3-phenylpropan-2-yl]-4-(octadecylamino)butanamide IUPAC Name: N-[(2S)-1-(3-aminopropylamino)-1-oxo-3-phenylpropan-2-yl]-4-(octadecylamino)butanamide Traditional Name: N-[(1S)-2-(3-aminopropylamino)-1-benzyl-2-keto-ethyl]-4-(stearylamino)butyramide Formula: C34H62N4O2 MolecularWeight: 558.88168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNCCCC(=O)NC(CC1=CC=CC=C1)C(=O)NCCCN

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNCCCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCCN

InChI

InChI=1S/C34H62N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-36-28-21-25-33(39)38-32(34(40)37-29-22-26-35)30-31-23-18-17-19-24-31/h17-19,23-24,32,36H,2-16,20-22,25-30,35H2,1H3,(H,37,40)(H,38,39)/t32-/m0/s1