(2R)-3-cyclobutyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-(6-nitroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid

Systemtic Name: (2R)-3-cyclobutyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-(6-nitroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid Openeye Name: (2R)-3-cyclobutyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-(6-nitroimidazo[1,2-a]pyridin-3-yl)-1-piperidyl]methyl]pyrrolidin-1-yl]propanoic acid CAS Name: (2R)-3-cyclobutyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-(6-nitro-3-imidazo[1,2-a]pyridinyl)-1-piperidinyl]methyl]-1-pyrrolidinyl]propanoic acid IUPAC Name: (2R)-3-cyclobutyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-(6-nitroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid Traditional Name: (2R)-3-cyclobutyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-(6-nitroimidazo[1,2-a]pyridin-3-yl)piperidino]methyl]pyrrolidino]propionic acid Formula: C30H36FN5O4 MolecularWeight: 549.636343

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)CC(C(=O)O)N2CC(C(C2)C3=CC(=CC=C3)F)CN4CCC(CC4)C5=CN=C6N5C=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1CC(C1)C[C@H](C(=O)O)N2C[C@@H]([C@H](C2)C3=CC(=CC=C3)F)CN4CCC(CC4)C5=CN=C6N5C=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C30H36FN5O4/c31-24-6-2-5-22(14-24)26-19-34(27(30(37)38)13-20-3-1-4-20)17-23(26)16-33-11-9-21(10-12-33)28-15-32-29-8-7-25(36(39)40)18-35(28)29/h2,5-8,14-15,18,20-21,23,26-27H,1,3-4,9-13,16-17,19H2,(H,37,38)/t23-,26+,27+/m0/s1