(2S,3S)-3-[[4-methyl-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-2-yl]carbamoyl]oxirane-2-carboxylic acid

Systemtic Name: (2S,3S)-3-[[4-methyl-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-2-yl]carbamoyl]oxirane-2-carboxylic acid Openeye Name: (2S,3S)-3-[[3-methyl-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)butyl]carbamoyl]oxirane-2-carboxylic acid CAS Name: (2S,3S)-3-[[[4-methyl-1-oxo-1-[4-(2-pyrimidinyl)-1-piperazinyl]pentan-2-yl]amino]-oxomethyl]-2-oxiranecarboxylic acid IUPAC Name: (2S,3S)-3-[[4-methyl-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-2-yl]carbamoyl]oxirane-2-carboxylic acid Traditional Name: (2S,3S)-3-[[3-methyl-1-[4-(2-pyrimidyl)piperazine-1-carbonyl]butyl]carbamoyl]oxirane-2-carboxylic acid Formula: C18H25N5O5 MolecularWeight: 391.4216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCN(CC1)C2=NC=CC=N2)NC(=O)C3C(O3)C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)N1CCN(CC1)C2=NC=CC=N2)NC(=O)[C@@H]3[C@H](O3)C(=O)O

InChI

InChI=1S/C18H25N5O5/c1-11(2)10-12(21-15(24)13-14(28-13)17(26)27)16(25)22-6-8-23(9-7-22)18-19-4-3-5-20-18/h3-5,11-14H,6-10H2,1-2H3,(H,21,24)(H,26,27)/t12?,13-,14-/m0/s1