(2S)-3-(1H-indol-3-yl)-2-[(3-methyl-2-oxidanylidene-pentanoyl)amino]propanoic acid

Systemtic Name: (2S)-3-(1H-indol-3-yl)-2-[(3-methyl-2-oxidanylidene-pentanoyl)amino]propanoic acid Openeye Name: (2S)-3-(1H-indol-3-yl)-2-[(3-methyl-2-oxo-pentanoyl)amino]propanoic acid CAS Name: (2S)-3-(1H-indol-3-yl)-2-[(3-methyl-1,2-dioxopentyl)amino]propanoic acid IUPAC Name: (2S)-3-(1H-indol-3-yl)-2-[(3-methyl-2-oxopentanoyl)amino]propanoic acid Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[(2-keto-3-methyl-pentanoyl)amino]propionic acid Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(C)C(=O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C17H20N2O4/c1-3-10(2)15(20)16(21)19-14(17(22)23)8-11-9-18-13-7-5-4-6-12(11)13/h4-7,9-10,14,18H,3,8H2,1-2H3,(H,19,21)(H,22,23)/t10?,14-/m0/s1