2-[4-(1H-indol-3-yl)butanoylamino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[4-(1H-indol-3-yl)butanoylamino]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-[4-(1H-indol-3-yl)butanoylamino]propanoic acid CAS Name: 3-hydroxy-2-[[4-(1H-indol-3-yl)-1-oxobutyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-[4-(1H-indol-3-yl)butanoylamino]propanoic acid Traditional Name: 3-hydroxy-2-[4-(1H-indol-3-yl)butanoylamino]propionic acid Formula: C15H18N2O4 MolecularWeight: 290.31442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCCC(=O)NC(CO)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCCC(=O)NC(CO)C(=O)O

InChI

InChI=1S/C15H18N2O4/c18-9-13(15(20)21)17-14(19)7-3-4-10-8-16-12-6-2-1-5-11(10)12/h1-2,5-6,8,13,16,18H,3-4,7,9H2,(H,17,19)(H,20,21)