2-[[4-(aminocarbonylamino)phenyl]carbonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[[4-(aminocarbonylamino)phenyl]carbonylamino]-3-methyl-butanoic acid Openeye Name: 3-methyl-2-[(4-ureidobenzoyl)amino]butanoic acid CAS Name: 2-[[[4-(carbamoylamino)phenyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[4-(carbamoylamino)benzoyl]amino]-3-methylbutanoic acid Traditional Name: 3-methyl-2-[(4-ureidobenzoyl)amino]butyric acid Formula: C13H17N3O4 MolecularWeight: 279.29178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O4/c1-7(2)10(12(18)19)16-11(17)8-3-5-9(6-4-8)15-13(14)20/h3-7,10H,1-2H3,(H,16,17)(H,18,19)(H3,14,15,20)