(2S,3R)-4-oxidanylidene-3-(piperidin-4-ylmethyl)-1-(4-quinolin-2-ylcarbonylpiperazin-1-yl)carbonyl-azetidine-2-carboxylic acid

Systemtic Name: (2S,3R)-4-oxidanylidene-3-(piperidin-4-ylmethyl)-1-(4-quinolin-2-ylcarbonylpiperazin-1-yl)carbonyl-azetidine-2-carboxylic acid Openeye Name: (2S,3R)-4-oxo-3-(4-piperidylmethyl)-1-[4-(quinoline-2-carbonyl)piperazine-1-carbonyl]azetidine-2-carboxylic acid CAS Name: (2S,3R)-4-oxo-1-[oxo-[4-[oxo(2-quinolinyl)methyl]-1-piperazinyl]methyl]-3-(4-piperidinylmethyl)-2-azetidinecarboxylic acid IUPAC Name: (2S,3R)-4-oxo-3-(piperidin-4-ylmethyl)-1-[4-(quinoline-2-carbonyl)piperazine-1-carbonyl]azetidine-2-carboxylic acid Traditional Name: (2S,3R)-4-keto-3-(4-piperidylmethyl)-1-(4-quinaldoylpiperazine-1-carbonyl)azetidine-2-carboxylic acid Formula: C25H29N5O5 MolecularWeight: 479.52826

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CC2C(N(C2=O)C(=O)N3CCN(CC3)C(=O)C4=NC5=CC=CC=C5C=C4)C(=O)O

Isomeric SMILES

C1CNCCC1C[C@@H]2[C@H](N(C2=O)C(=O)N3CCN(CC3)C(=O)C4=NC5=CC=CC=C5C=C4)C(=O)O

InChI

InChI=1S/C25H29N5O5/c31-22-18(15-16-7-9-26-10-8-16)21(24(33)34)30(22)25(35)29-13-11-28(12-14-29)23(32)20-6-5-17-3-1-2-4-19(17)27-20/h1-6,16,18,21,26H,7-15H2,(H,33,34)/t18-,21+/m1/s1