(2S)-N-(5-azanylpentyl)-2-[3-(octadecylamino)propanoylamino]-3-phenyl-propanamide

Systemtic Name: (2S)-N-(5-azanylpentyl)-2-[3-(octadecylamino)propanoylamino]-3-phenyl-propanamide Openeye Name: (2S)-N-(5-aminopentyl)-2-[3-(octadecylamino)propanoylamino]-3-phenyl-propanamide CAS Name: (2S)-N-(5-aminopentyl)-2-[[3-(octadecylamino)-1-oxopropyl]amino]-3-phenylpropanamide IUPAC Name: (2S)-N-(5-aminopentyl)-2-[3-(octadecylamino)propanoylamino]-3-phenylpropanamide Traditional Name: (2S)-N-(5-aminopentyl)-3-phenyl-2-[3-(stearylamino)propanoylamino]propionamide Formula: C35H64N4O2 MolecularWeight: 572.90826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H64N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-28-37-30-26-34(40)39-33(31-32-24-19-17-20-25-32)35(41)38-29-23-18-21-27-36/h17,19-20,24-25,33,37H,2-16,18,21-23,26-31,36H2,1H3,(H,38,41)(H,39,40)/t33-/m0/s1