[3-[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]oxy-2-oxidanyl-propyl] tridecanoate

Systemtic Name: [3-[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]oxy-2-oxidanyl-propyl] tridecanoate Openeye Name: [3-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]oxy-2-hydroxy-propyl] tridecanoate CAS Name: tridecanoic acid [3-[(2S)-2-amino-3-(1H-indol-3-yl)-1-oxopropoxy]-2-hydroxypropyl] ester IUPAC Name: [3-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]oxy-2-hydroxypropyl] tridecanoate Traditional Name: tridecanoic acid [3-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]oxy-2-hydroxy-propyl] ester Formula: C27H42N2O5 MolecularWeight: 474.63278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=O)OCC(COC(=O)C(CC1=CNC2=CC=CC=C21)N)O

Isomeric SMILES

CCCCCCCCCCCCC(=O)OCC(COC(=O)[C@H](CC1=CNC2=CC=CC=C21)N)O

InChI

InChI=1S/C27H42N2O5/c1-2-3-4-5-6-7-8-9-10-11-16-26(31)33-19-22(30)20-34-27(32)24(28)17-21-18-29-25-15-13-12-14-23(21)25/h12-15,18,22,24,29-30H,2-11,16-17,19-20,28H2,1H3/t22?,24-/m0/s1