2-[2-(aminocarbonylamino)propanoylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[2-(aminocarbonylamino)propanoylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 4-methylsulfonyl-2-(2-ureidopropanoylamino)butanoic acid CAS Name: 2-[[2-(carbamoylamino)-1-oxopropyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[2-(carbamoylamino)propanoylamino]-4-methylsulfonylbutanoic acid Traditional Name: 4-mesyl-2-(2-ureidopropanoylamino)butyric acid Formula: C9H17N3O6S MolecularWeight: 295.31278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCS(=O)(=O)C)C(=O)O)NC(=O)N

Isomeric SMILES

CC(C(=O)NC(CCS(=O)(=O)C)C(=O)O)NC(=O)N

InChI

InChI=1S/C9H17N3O6S/c1-5(11-9(10)16)7(13)12-6(8(14)15)3-4-19(2,17)18/h5-6H,3-4H2,1-2H3,(H,12,13)(H,14,15)(H3,10,11,16)