(2S,3R)-4-oxidanylidene-3-(piperidin-4-ylmethyl)-1-[4-(2,2,3,3-tetramethylcyclopropyl)carbonylpiperazin-1-yl]carbonyl-azetidine-2-carboxylic acid

Systemtic Name: (2S,3R)-4-oxidanylidene-3-(piperidin-4-ylmethyl)-1-[4-(2,2,3,3-tetramethylcyclopropyl)carbonylpiperazin-1-yl]carbonyl-azetidine-2-carboxylic acid Openeye Name: (2S,3R)-4-oxo-3-(4-piperidylmethyl)-1-[4-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperazine-1-carbonyl]azetidine-2-carboxylic acid CAS Name: (2S,3R)-4-oxo-1-[oxo-[4-[oxo-(2,2,3,3-tetramethylcyclopropyl)methyl]-1-piperazinyl]methyl]-3-(4-piperidinylmethyl)-2-azetidinecarboxylic acid IUPAC Name: (2S,3R)-4-oxo-3-(piperidin-4-ylmethyl)-1-[4-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperazine-1-carbonyl]azetidine-2-carboxylic acid Traditional Name: (2S,3R)-4-keto-3-(4-piperidylmethyl)-1-[4-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperazine-1-carbonyl]azetidine-2-carboxylic acid Formula: C23H36N4O5 MolecularWeight: 448.55574

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C1(C)C)C(=O)N2CCN(CC2)C(=O)N3C(C(C3=O)CC4CCNCC4)C(=O)O)C

Isomeric SMILES

CC1(C(C1(C)C)C(=O)N2CCN(CC2)C(=O)N3[C@@H]([C@H](C3=O)CC4CCNCC4)C(=O)O)C

InChI

InChI=1S/C23H36N4O5/c1-22(2)17(23(22,3)4)19(29)25-9-11-26(12-10-25)21(32)27-16(20(30)31)15(18(27)28)13-14-5-7-24-8-6-14/h14-17,24H,5-13H2,1-4H3,(H,30,31)/t15-,16+/m1/s1