(2S)-2-[(5-chloranyl-2-oxidanylidene-indol-3-yl)amino]-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: (2S)-2-[(5-chloranyl-2-oxidanylidene-indol-3-yl)amino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: (2S)-2-[(5-chloro-2-oxo-indol-3-yl)amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: (2S)-2-[(5-chloro-2-oxo-3-indolyl)amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: (2S)-2-[(5-chloro-2-oxoindol-3-yl)amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: (2S)-2-[(5-chloro-2-keto-indol-3-yl)amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C14H11ClN4O3 MolecularWeight: 318.71514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(=O)C(=C2C=C1Cl)NC(CC3=CN=CN3)C(=O)O

Isomeric SMILES

C1=CC2=NC(=O)C(=C2C=C1Cl)N[C@@H](CC3=CN=CN3)C(=O)O

InChI

InChI=1S/C14H11ClN4O3/c15-7-1-2-10-9(3-7)12(13(20)19-10)18-11(14(21)22)4-8-5-16-6-17-8/h1-3,5-6,11H,4H2,(H,16,17)(H,21,22)(H,18,19,20)/t11-/m0/s1