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

Systemtic Name: 2-[[4-[(aminocarbonylamino)methyl]phenyl]carbonylamino]-3-methyl-butanoic acid Openeye Name: 3-methyl-2-[[4-(ureidomethyl)benzoyl]amino]butanoic acid CAS Name: 2-[[[4-[(carbamoylamino)methyl]phenyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]-3-methylbutanoic acid Traditional Name: 3-methyl-2-[[4-(ureidomethyl)benzoyl]amino]butyric acid Formula: C14H19N3O4 MolecularWeight: 293.31836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O4/c1-8(2)11(13(19)20)17-12(18)10-5-3-9(4-6-10)7-16-14(15)21/h3-6,8,11H,7H2,1-2H3,(H,17,18)(H,19,20)(H3,15,16,21)