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The molecular formula is C13H24N4O3.
The synonyms are (2S)-N-[(1S)-1-(CARBAMOYLMETHYLCARBAMOYL)-3-METHYL-BUTYL]PYRROLIDINE-2-CARBOXAMIDE.
The computed IUPAC name is (2S)-N-[(2S)-1-[carbamoyl(methyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide.
The InChI is InChI=1S/C13H24N4O3/c1-8(2)7-10(12(19)17(3)13(14)20)16-11(18)9-5-4-6-15-9/h8-10,15H,4-7H2,1-3H3,(H2,14,20)(H,16,18)/t9-,10-/m0/s1.
The InChIKey is HSJJDNMHXBXZAD-UWVGGRQHSA-N.
The canonical SMILES is CC(C)CC(C(=O)N(C)C(=O)N)NC(=O)C1CCCN1.
The isomeric SMILES is CC(C)C[C@@H](C(=O)N(C)C(=O)N)NC(=O)[C@@H]1CCCN1.
The molecular weight is 284.35 g/mol.
The XLogP3 value is -0.4.
The compound has 3 hydrogen bond donor counts.
908334-04-3
908334-05-4
908337-04-2
908350-29-8
9083-50-5
908350-80-1
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