(2S)-3-(1H-indol-3-yl)-2-(16-methylheptadecanoylamino)propanoic acid

Systemtic Name: (2S)-3-(1H-indol-3-yl)-2-(16-methylheptadecanoylamino)propanoic acid Openeye Name: (2S)-3-(1H-indol-3-yl)-2-(16-methylheptadecanoylamino)propanoic acid CAS Name: (2S)-3-(1H-indol-3-yl)-2-[(16-methyl-1-oxoheptadecyl)amino]propanoic acid IUPAC Name: (2S)-3-(1H-indol-3-yl)-2-(16-methylheptadecanoylamino)propanoic acid Traditional Name: (2S)-3-(1H-indol-3-yl)-2-(16-methylheptadecanoylamino)propionic acid Formula: C29H46N2O3 MolecularWeight: 470.68714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C29H46N2O3/c1-23(2)17-13-11-9-7-5-3-4-6-8-10-12-14-20-28(32)31-27(29(33)34)21-24-22-30-26-19-16-15-18-25(24)26/h15-16,18-19,22-23,27,30H,3-14,17,20-21H2,1-2H3,(H,31,32)(H,33,34)/t27-/m0/s1