(2S)-2-azanyl-N-(2-dodecoxy-3-octadecoxy-propyl)-3-(1H-indol-3-yl)propanamide

Systemtic Name: (2S)-2-azanyl-N-(2-dodecoxy-3-octadecoxy-propyl)-3-(1H-indol-3-yl)propanamide Openeye Name: (2S)-2-amino-N-(2-dodecoxy-3-octadecoxy-propyl)-3-(1H-indol-3-yl)propanamide CAS Name: (2S)-2-amino-N-(2-dodecoxy-3-octadecoxypropyl)-3-(1H-indol-3-yl)propanamide IUPAC Name: (2S)-2-amino-N-(2-dodecoxy-3-octadecoxypropyl)-3-(1H-indol-3-yl)propanamide Traditional Name: (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-lauryloxy-3-stearyloxy-propyl)propionamide Formula: C44H79N3O3 MolecularWeight: 698.11636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CNC(=O)C(CC1=CNC2=CC=CC=C21)N)OCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CNC(=O)[C@H](CC1=CNC2=CC=CC=C21)N)OCCCCCCCCCCCC

InChI

InChI=1S/C44H79N3O3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-29-33-49-38-40(50-34-30-26-24-22-14-12-10-8-6-4-2)37-47-44(48)42(45)35-39-36-46-43-32-28-27-31-41(39)43/h27-28,31-32,36,40,42,46H,3-26,29-30,33-35,37-38,45H2,1-2H3,(H,47,48)/t40?,42-/m0/s1