3-(2-azanylethanoylamino)-3-(3-bromanyl-5-chloranyl-2-oxidanyl-phenyl)propanoic acid

Systemtic Name: 3-(2-azanylethanoylamino)-3-(3-bromanyl-5-chloranyl-2-oxidanyl-phenyl)propanoic acid Openeye Name: 3-[(2-aminoacetyl)amino]-3-(3-bromo-5-chloro-2-hydroxy-phenyl)propanoic acid CAS Name: 3-[(2-amino-1-oxoethyl)amino]-3-(3-bromo-5-chloro-2-hydroxyphenyl)propanoic acid IUPAC Name: 3-[(2-aminoacetyl)amino]-3-(3-bromo-5-chloro-2-hydroxyphenyl)propanoic acid Traditional Name: 3-(3-bromo-5-chloro-2-hydroxy-phenyl)-3-(glycylamino)propionic acid Formula: C11H12BrClN2O4 MolecularWeight: 351.58098

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Br)O)C(CC(=O)O)NC(=O)CN)Cl

Isomeric SMILES

C1=C(C=C(C(=C1Br)O)C(CC(=O)O)NC(=O)CN)Cl

InChI

InChI=1S/C11H12BrClN2O4/c12-7-2-5(13)1-6(11(7)19)8(3-10(17)18)15-9(16)4-14/h1-2,8,19H,3-4,14H2,(H,15,16)(H,17,18)