N-[(2S)-1-(5-azanylpentylamino)-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]-4-(octadecylamino)butanamide

Systemtic Name: N-[(2S)-1-(5-azanylpentylamino)-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]-4-(octadecylamino)butanamide Openeye Name: N-[(1S)-2-(5-aminopentylamino)-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]-4-(octadecylamino)butanamide CAS Name: N-[(2S)-1-(5-aminopentylamino)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-(octadecylamino)butanamide IUPAC Name: N-[(2S)-1-(5-aminopentylamino)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-(octadecylamino)butanamide Traditional Name: N-[(1S)-2-(5-aminopentylamino)-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]-4-(stearylamino)butyramide Formula: C33H64N6O2 MolecularWeight: 576.90026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNCCCC(=O)NC(CC1=CN=CN1)C(=O)NCCCCCN

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNCCCC(=O)N[C@@H](CC1=CN=CN1)C(=O)NCCCCCN

InChI

InChI=1S/C33H64N6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-35-25-21-22-32(40)39-31(27-30-28-36-29-38-30)33(41)37-26-20-17-18-23-34/h28-29,31,35H,2-27,34H2,1H3,(H,36,38)(H,37,41)(H,39,40)/t31-/m0/s1