2-[[2-(aminocarbonylamino)-3-methyl-butanoyl]amino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[[2-(aminocarbonylamino)-3-methyl-butanoyl]amino]-4-methylsulfonyl-butanoic acid Openeye Name: 4-methylsulfonyl-2-[(3-methyl-2-ureido-butanoyl)amino]butanoic acid CAS Name: 2-[[2-(carbamoylamino)-3-methyl-1-oxobutyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[[2-(carbamoylamino)-3-methylbutanoyl]amino]-4-methylsulfonylbutanoic acid Traditional Name: 4-mesyl-2-[(3-methyl-2-ureido-butanoyl)amino]butyric acid Formula: C11H21N3O6S MolecularWeight: 323.36594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H21N3O6S/c1-6(2)8(14-11(12)18)9(15)13-7(10(16)17)4-5-21(3,19)20/h6-8H,4-5H2,1-3H3,(H,13,15)(H,16,17)(H3,12,14,18)