(2S)-2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethylamino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: (2S)-2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethylamino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: (2S)-2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethylamino]-3-(1H-indol-3-yl)propanoic acid CAS Name: (2S)-2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethylamino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: (2S)-2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethylamino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: (2S)-2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethylamino]-3-(1H-indol-3-yl)propionic acid Formula: C19H26N2O4 MolecularWeight: 346.42074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(OC1)CCNC(CC2=CNC3=CC=CC=C32)C(=O)O)C

Isomeric SMILES

CC1(COC(OC1)CCN[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O)C

InChI

InChI=1S/C19H26N2O4/c1-19(2)11-24-17(25-12-19)7-8-20-16(18(22)23)9-13-10-21-15-6-4-3-5-14(13)15/h3-6,10,16-17,20-21H,7-9,11-12H2,1-2H3,(H,22,23)/t16-/m0/s1