(2S)-2-[[(2S)-2-[(2-azidophenyl)carbonylamino]propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[(2-azidophenyl)carbonylamino]propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: (2S)-2-[[(2S)-2-[(2-azidobenzoyl)amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2-azidophenyl)-oxomethyl]amino]-1-oxopropyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[(2-azidobenzoyl)amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: (2S)-2-[[(2S)-2-[(2-azidobenzoyl)amino]propanoyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C21H20N6O4 MolecularWeight: 420.4213

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C3=CC=CC=C3N=[N+]=[N-]

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C3=CC=CC=C3N=[N+]=[N-]

InChI

InChI=1S/C21H20N6O4/c1-12(24-20(29)15-7-3-5-9-17(15)26-27-22)19(28)25-18(21(30)31)10-13-11-23-16-8-4-2-6-14(13)16/h2-9,11-12,18,23H,10H2,1H3,(H,24,29)(H,25,28)(H,30,31)/t12-,18-/m0/s1