2-azanyl-3-[4-[(E)-3-methyl-4-oxidanyl-but-2-enyl]-1H-indol-3-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[4-[(E)-3-methyl-4-oxidanyl-but-2-enyl]-1H-indol-3-yl]propanoic acid Openeye Name: 2-amino-3-[4-[(E)-4-hydroxy-3-methyl-but-2-enyl]-1H-indol-3-yl]propanoic acid CAS Name: 2-amino-3-[4-[(E)-4-hydroxy-3-methylbut-2-enyl]-1H-indol-3-yl]propanoic acid IUPAC Name: 2-amino-3-[4-[(E)-4-hydroxy-3-methylbut-2-enyl]-1H-indol-3-yl]propanoic acid Traditional Name: 2-amino-3-[4-[(E)-4-hydroxy-3-methyl-but-2-enyl]-1H-indol-3-yl]propionic acid Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1=C2C(=CC=C1)NC=C2CC(C(=O)O)N)CO

Isomeric SMILES

C/C(=C\CC1=C2C(=CC=C1)NC=C2CC(C(=O)O)N)/CO

InChI

InChI=1S/C16H20N2O3/c1-10(9-19)5-6-11-3-2-4-14-15(11)12(8-18-14)7-13(17)16(20)21/h2-5,8,13,18-19H,6-7,9,17H2,1H3,(H,20,21)/b10-5+