(2S)-2-[[(2S)-2-azaniumyl-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: (2S)-2-[[(2S)-2-azaniumyl-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoate Openeye Name: (2S)-2-[[(2S)-2-azaniumyl-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[(2S)-2-ammonio-1-oxo-3-phenylpropyl]amino]-3-(1H-indol-3-yl)propanoate IUPAC Name: (2S)-2-[[(2S)-2-azaniumyl-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[[(2S)-2-ammonio-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propionate Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)[O-])[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)[O-])[NH3+]

InChI

InChI=1S/C20H21N3O3/c21-16(10-13-6-2-1-3-7-13)19(24)23-18(20(25)26)11-14-12-22-17-9-5-4-8-15(14)17/h1-9,12,16,18,22H,10-11,21H2,(H,23,24)(H,25,26)/t16-,18-/m0/s1