3-[[2-(aminocarbonylamino)-3-methyl-butanoyl]amino]-4-chloranyl-benzoic acid

Systemtic Name: 3-[[2-(aminocarbonylamino)-3-methyl-butanoyl]amino]-4-chloranyl-benzoic acid Openeye Name: 4-chloro-3-[(3-methyl-2-ureido-butanoyl)amino]benzoic acid CAS Name: 3-[[2-(carbamoylamino)-3-methyl-1-oxobutyl]amino]-4-chlorobenzoic acid IUPAC Name: 3-[[2-(carbamoylamino)-3-methylbutanoyl]amino]-4-chlorobenzoic acid Traditional Name: 4-chloro-3-[(3-methyl-2-ureido-butanoyl)amino]benzoic acid Formula: C13H16ClN3O4 MolecularWeight: 313.73684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=C(C=CC(=C1)C(=O)O)Cl)NC(=O)N

Isomeric SMILES

CC(C)C(C(=O)NC1=C(C=CC(=C1)C(=O)O)Cl)NC(=O)N

InChI

InChI=1S/C13H16ClN3O4/c1-6(2)10(17-13(15)21)11(18)16-9-5-7(12(19)20)3-4-8(9)14/h3-6,10H,1-2H3,(H,16,18)(H,19,20)(H3,15,17,21)