1-[(2S)-2-[(5-chloranyl-1H-indol-2-yl)carbonylamino]-3-phenyl-propanoyl]azetidine-3-carboxylic acid

Systemtic Name: 1-[(2S)-2-[(5-chloranyl-1H-indol-2-yl)carbonylamino]-3-phenyl-propanoyl]azetidine-3-carboxylic acid Openeye Name: 1-[(2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-3-phenyl-propanoyl]azetidine-3-carboxylic acid CAS Name: 1-[(2S)-2-[[(5-chloro-1H-indol-2-yl)-oxomethyl]amino]-1-oxo-3-phenylpropyl]-3-azetidinecarboxylic acid IUPAC Name: 1-[(2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-3-phenylpropanoyl]azetidine-3-carboxylic acid Traditional Name: 1-[(2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-3-phenyl-propanoyl]azetidine-3-carboxylic acid Formula: C22H20ClN3O4 MolecularWeight: 425.8649

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN1C(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC4=C(N3)C=CC(=C4)Cl)C(=O)O

Isomeric SMILES

C1C(CN1C(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC4=C(N3)C=CC(=C4)Cl)C(=O)O

InChI

InChI=1S/C22H20ClN3O4/c23-16-6-7-17-14(9-16)10-18(24-17)20(27)25-19(8-13-4-2-1-3-5-13)21(28)26-11-15(12-26)22(29)30/h1-7,9-10,15,19,24H,8,11-12H2,(H,25,27)(H,29,30)/t19-/m0/s1