(2S)-2-azanyl-3-[4-(3-methylbutyl)-1H-indol-3-yl]propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[4-(3-methylbutyl)-1H-indol-3-yl]propanoic acid Openeye Name: (2S)-2-amino-3-(4-isopentyl-1H-indol-3-yl)propanoic acid CAS Name: (2S)-2-amino-3-[4-(3-methylbutyl)-1H-indol-3-yl]propanoic acid IUPAC Name: (2S)-2-amino-3-[4-(3-methylbutyl)-1H-indol-3-yl]propanoic acid Traditional Name: (2S)-2-amino-3-(4-isoamyl-1H-indol-3-yl)propionic acid Formula: C16H22N2O2 MolecularWeight: 274.35808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)CCC1=C2C(=CC=C1)NC=C2C[C@@H](C(=O)O)N

InChI

InChI=1S/C16H22N2O2/c1-10(2)6-7-11-4-3-5-14-15(11)12(9-18-14)8-13(17)16(19)20/h3-5,9-10,13,18H,6-8,17H2,1-2H3,(H,19,20)/t13-/m0/s1