(2S)-N-(3-azanylpropyl)-3-(1H-imidazol-5-yl)-2-[2-(octadecylamino)ethanoylamino]propanamide

Systemtic Name: (2S)-N-(3-azanylpropyl)-3-(1H-imidazol-5-yl)-2-[2-(octadecylamino)ethanoylamino]propanamide Openeye Name: (2S)-N-(3-aminopropyl)-3-(1H-imidazol-5-yl)-2-[[2-(octadecylamino)acetyl]amino]propanamide CAS Name: (2S)-N-(3-aminopropyl)-3-(1H-imidazol-5-yl)-2-[[2-(octadecylamino)-1-oxoethyl]amino]propanamide IUPAC Name: (2S)-N-(3-aminopropyl)-3-(1H-imidazol-5-yl)-2-[[2-(octadecylamino)acetyl]amino]propanamide Traditional Name: (2S)-N-(3-aminopropyl)-3-(1H-imidazol-5-yl)-2-[[2-(stearylamino)acetyl]amino]propionamide Formula: C29H56N6O2 MolecularWeight: 520.79394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNCC(=O)NC(CC1=CN=CN1)C(=O)NCCCN

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNCC(=O)N[C@@H](CC1=CN=CN1)C(=O)NCCCN

InChI

InChI=1S/C29H56N6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-31-24-28(36)35-27(22-26-23-32-25-34-26)29(37)33-21-18-19-30/h23,25,27,31H,2-22,24,30H2,1H3,(H,32,34)(H,33,37)(H,35,36)/t27-/m0/s1