(2S)-2-[[4-(1H-indol-3-ylcarbonyl)piperazin-1-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[4-(1H-indol-3-ylcarbonyl)piperazin-1-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[4-(1H-indole-3-carbonyl)piperazine-1-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[[4-[1H-indol-3-yl(oxo)methyl]-1-piperazinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[4-(1H-indole-3-carbonyl)piperazine-1-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[4-(1H-indole-3-carbonyl)piperazine-1-carbonyl]amino]-3-phenyl-propionic acid Formula: C23H24N4O4 MolecularWeight: 420.46106

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CNC3=CC=CC=C32)C(=O)NC(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CN(CCN1C(=O)C2=CNC3=CC=CC=C32)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C23H24N4O4/c28-21(18-15-24-19-9-5-4-8-17(18)19)26-10-12-27(13-11-26)23(31)25-20(22(29)30)14-16-6-2-1-3-7-16/h1-9,15,20,24H,10-14H2,(H,25,31)(H,29,30)/t20-/m0/s1