2-azanyl-3-(1H-indol-3-yl)propanoic acid; 2-[2-(phenethylamino)ethanoyloxy]propanoic acid

Systemtic Name: 2-azanyl-3-(1H-indol-3-yl)propanoic acid; 2-[2-(phenethylamino)ethanoyloxy]propanoic acid Openeye Name: 2-amino-3-(1H-indol-3-yl)propanoic acid; 2-[2-(phenethylamino)acetyl]oxypropanoic acid CAS Name: 2-amino-3-(1H-indol-3-yl)propanoic acid; 2-[1-oxo-2-(phenethylamino)ethoxy]propanoic acid IUPAC Name: 2-amino-3-(1H-indol-3-yl)propanoic acid; 2-[2-(phenethylamino)acetyl]oxypropanoic acid Traditional Name: 2-amino-3-(1H-indol-3-yl)propionic acid; 2-[2-(phenethylamino)acetyl]oxypropionic acid Formula: C24H29N3O6 MolecularWeight: 455.50356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC(=O)CNCCC1=CC=CC=C1.C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N

Isomeric SMILES

CC(C(=O)O)OC(=O)CNCCC1=CC=CC=C1.C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N

InChI

InChI=1S/C13H17NO4.C11H12N2O2/c1-10(13(16)17)18-12(15)9-14-8-7-11-5-3-2-4-6-11;12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h2-6,10,14H,7-9H2,1H3,(H,16,17);1-4,6,9,13H,5,12H2,(H,14,15)