(2S)-2-[2-(6H-indol-3-yl)ethanoylamino]butanedioic acid

Systemtic Name: (2S)-2-[2-(6H-indol-3-yl)ethanoylamino]butanedioic acid Openeye Name: (2S)-2-[[2-(6H-indol-3-yl)acetyl]amino]butanedioic acid CAS Name: (2S)-2-[[2-(6H-indol-3-yl)-1-oxoethyl]amino]butanedioic acid IUPAC Name: (2S)-2-[[2-(6H-indol-3-yl)acetyl]amino]butanedioic acid Traditional Name: (2S)-2-[[2-(6H-indol-3-yl)acetyl]amino]succinic acid Formula: C14H14N2O5 MolecularWeight: 290.27136

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC2=C(C=NC2=C1)CC(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

C1C=CC2=C(C=NC2=C1)CC(=O)N[C@@H](CC(=O)O)C(=O)O

InChI

InChI=1S/C14H14N2O5/c17-12(16-11(14(20)21)6-13(18)19)5-8-7-15-10-4-2-1-3-9(8)10/h1,3-4,7,11H,2,5-6H2,(H,16,17)(H,18,19)(H,20,21)/t11-/m0/s1