(2S)-N-(3-azanylpropyl)-2-[3-(octadecylamino)propanoylamino]-3-phenyl-propanamide

Systemtic Name: (2S)-N-(3-azanylpropyl)-2-[3-(octadecylamino)propanoylamino]-3-phenyl-propanamide Openeye Name: (2S)-N-(3-aminopropyl)-2-[3-(octadecylamino)propanoylamino]-3-phenyl-propanamide CAS Name: (2S)-N-(3-aminopropyl)-2-[[3-(octadecylamino)-1-oxopropyl]amino]-3-phenylpropanamide IUPAC Name: (2S)-N-(3-aminopropyl)-2-[3-(octadecylamino)propanoylamino]-3-phenylpropanamide Traditional Name: (2S)-N-(3-aminopropyl)-3-phenyl-2-[3-(stearylamino)propanoylamino]propionamide Formula: C33H60N4O2 MolecularWeight: 544.8551

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H60N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-26-35-28-24-32(38)37-31(33(39)36-27-21-25-34)29-30-22-18-17-19-23-30/h17-19,22-23,31,35H,2-16,20-21,24-29,34H2,1H3,(H,36,39)(H,37,38)/t31-/m0/s1