(2S)-2-[3-(1H-indol-3-yl)propanoylamino]pentanedioate

Systemtic Name: (2S)-2-[3-(1H-indol-3-yl)propanoylamino]pentanedioate Openeye Name: (2S)-2-[3-(1H-indol-3-yl)propanoylamino]pentanedioate CAS Name: (2S)-2-[[3-(1H-indol-3-yl)-1-oxopropyl]amino]pentanedioate IUPAC Name: (2S)-2-[3-(1H-indol-3-yl)propanoylamino]pentanedioate Traditional Name: (2S)-2-[3-(1H-indol-3-yl)propanoylamino]glutarate Formula: C16H16N2O5-2 MolecularWeight: 316.30864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCC(=O)NC(CCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C16H18N2O5/c19-14(18-13(16(22)23)6-8-15(20)21)7-5-10-9-17-12-4-2-1-3-11(10)12/h1-4,9,13,17H,5-8H2,(H,18,19)(H,20,21)(H,22,23)/p-2/t13-/m0/s1