2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]-3-[4-(2-bromanylethanoylamino)phenyl]propanoic acid

Systemtic Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]-3-[4-(2-bromanylethanoylamino)phenyl]propanoic acid Openeye Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]-3-[4-[(2-bromoacetyl)amino]phenyl]propanoic acid CAS Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]-3-[4-[(2-bromo-1-oxoethyl)amino]phenyl]propanoic acid IUPAC Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]-3-[4-[(2-bromoacetyl)amino]phenyl]propanoic acid Traditional Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]-3-[4-[(2-bromoacetyl)amino]phenyl]propionic acid Formula: C19H24BrN3O9 MolecularWeight: 518.31256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O)NC(=O)CBr

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O)NC(=O)CBr

InChI

InChI=1S/C19H24BrN3O9/c20-8-15(24)21-13-3-1-12(2-4-13)7-14(19(31)32)23(11-18(29)30)6-5-22(9-16(25)26)10-17(27)28/h1-4,14H,5-11H2,(H,21,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)