(2S)-2-[3-(1H-indol-3-yl)propanoylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid

Systemtic Name: (2S)-2-[3-(1H-indol-3-yl)propanoylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid Openeye Name: (2S)-3-(5-hydroxy-1H-indol-3-yl)-2-[3-(1H-indol-3-yl)propanoylamino]propanoic acid CAS Name: (2S)-3-(5-hydroxy-1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-1-oxopropyl]amino]propanoic acid IUPAC Name: (2S)-3-(5-hydroxy-1H-indol-3-yl)-2-[3-(1H-indol-3-yl)propanoylamino]propanoic acid Traditional Name: (2S)-3-(5-hydroxy-1H-indol-3-yl)-2-[3-(1H-indol-3-yl)propanoylamino]propionic acid Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCC(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCC(=O)N[C@@H](CC3=CNC4=C3C=C(C=C4)O)C(=O)O

InChI

InChI=1S/C22H21N3O4/c26-15-6-7-19-17(10-15)14(12-24-19)9-20(22(28)29)25-21(27)8-5-13-11-23-18-4-2-1-3-16(13)18/h1-4,6-7,10-12,20,23-24,26H,5,8-9H2,(H,25,27)(H,28,29)/t20-/m0/s1