2-(3,3-dimethylbutanoylamino)-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-(3,3-dimethylbutanoylamino)-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-(3,3-dimethylbutanoylamino)-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[(3,3-dimethyl-1-oxobutyl)amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-(3,3-dimethylbutanoylamino)-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-(3,3-dimethylbutanoylamino)-3-(1H-indol-3-yl)propionic acid Formula: C17H22N2O3 MolecularWeight: 302.36818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CC(C)(C)CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C17H22N2O3/c1-17(2,3)9-15(20)19-14(16(21)22)8-11-10-18-13-7-5-4-6-12(11)13/h4-7,10,14,18H,8-9H2,1-3H3,(H,19,20)(H,21,22)