methyl (2S)-2-[3-(decanoylamino)propanoylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2S)-2-[3-(decanoylamino)propanoylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2S)-2-[3-(decanoylamino)propanoylamino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[1-oxo-3-(1-oxodecylamino)propyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[3-(decanoylamino)propanoylamino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[3-(caprylamino)propanoylamino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C25H37N3O4 MolecularWeight: 443.57898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OC

Isomeric SMILES

CCCCCCCCCC(=O)NCCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)OC

InChI

InChI=1S/C25H37N3O4/c1-3-4-5-6-7-8-9-14-23(29)26-16-15-24(30)28-22(25(31)32-2)17-19-18-27-21-13-11-10-12-20(19)21/h10-13,18,22,27H,3-9,14-17H2,1-2H3,(H,26,29)(H,28,30)/t22-/m0/s1