(2S)-3-(1H-indol-3-yl)-2-[[(2S)-3-(7-oxidanyl-1H-indol-3-yl)-2-(trimethylazaniumyl)propanoyl]amino]propanoate

Systemtic Name: (2S)-3-(1H-indol-3-yl)-2-[[(2S)-3-(7-oxidanyl-1H-indol-3-yl)-2-(trimethylazaniumyl)propanoyl]amino]propanoate Openeye Name: (2S)-2-[[(2S)-3-(7-hydroxy-1H-indol-3-yl)-2-(trimethylammonio)propanoyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[(2S)-3-(7-hydroxy-1H-indol-3-yl)-1-oxo-2-(trimethylammonio)propyl]amino]-3-(1H-indol-3-yl)propanoate IUPAC Name: (2S)-2-[[(2S)-3-(7-hydroxy-1H-indol-3-yl)-2-(trimethylazaniumyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[[(2S)-3-(7-hydroxy-1H-indol-3-yl)-2-(trimethylammonio)propanoyl]amino]-3-(1H-indol-3-yl)propionate Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C(CC1=CNC2=C1C=CC=C2O)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)[O-]

Isomeric SMILES

C[N+](C)(C)[C@@H](CC1=CNC2=C1C=CC=C2O)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)[O-]

InChI

InChI=1S/C25H28N4O4/c1-29(2,3)21(12-16-14-27-23-18(16)8-6-10-22(23)30)24(31)28-20(25(32)33)11-15-13-26-19-9-5-4-7-17(15)19/h4-10,13-14,20-21,26-27H,11-12H2,1-3H3,(H2-,28,30,31,32,33)/t20-,21-/m0/s1