(2S)-1-[(2S)-2-[(1-bromanylindol-2-yl)carbonylamino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S)-2-[(1-bromanylindol-2-yl)carbonylamino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-2-[(1-bromoindole-2-carbonyl)amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S)-2-[[(1-bromo-2-indolyl)-oxomethyl]amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-2-[(1-bromoindole-2-carbonyl)amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-2-[(1-bromoindole-2-carbonyl)amino]-3-phenyl-propanoyl]proline Formula: C23H22BrN3O4 MolecularWeight: 484.34248

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4N3Br)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4N3Br)C(=O)O

InChI

InChI=1S/C23H22BrN3O4/c24-27-18-10-5-4-9-16(18)14-20(27)21(28)25-17(13-15-7-2-1-3-8-15)22(29)26-12-6-11-19(26)23(30)31/h1-5,7-10,14,17,19H,6,11-13H2,(H,25,28)(H,30,31)/t17-,19-/m0/s1