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

Systemtic Name: (2S)-N-(3-azanylpropyl)-2-[2-(octadecylamino)ethanoylamino]-3-phenyl-propanamide Openeye Name: (2S)-N-(3-aminopropyl)-2-[[2-(octadecylamino)acetyl]amino]-3-phenyl-propanamide CAS Name: (2S)-N-(3-aminopropyl)-2-[[2-(octadecylamino)-1-oxoethyl]amino]-3-phenylpropanamide IUPAC Name: (2S)-N-(3-aminopropyl)-2-[[2-(octadecylamino)acetyl]amino]-3-phenylpropanamide Traditional Name: (2S)-N-(3-aminopropyl)-3-phenyl-2-[[2-(stearylamino)acetyl]amino]propionamide Formula: C32H58N4O2 MolecularWeight: 530.82852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H58N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-34-28-31(37)36-30(32(38)35-26-21-24-33)27-29-22-18-17-19-23-29/h17-19,22-23,30,34H,2-16,20-21,24-28,33H2,1H3,(H,35,38)(H,36,37)/t30-/m0/s1