2-acetamido-3-[2,3-bis(2-chloroethylamino)phenyl]propanoic acid

Systemtic Name: 2-acetamido-3-[2,3-bis(2-chloroethylamino)phenyl]propanoic acid Openeye Name: 2-acetamido-3-[2,3-bis(2-chloroethylamino)phenyl]propanoic acid CAS Name: 2-acetamido-3-[2,3-bis(2-chloroethylamino)phenyl]propanoic acid IUPAC Name: 2-acetamido-3-[2,3-bis(2-chloroethylamino)phenyl]propanoic acid Traditional Name: 2-acetamido-3-[2,3-bis(2-chloroethylamino)phenyl]propionic acid Formula: C15H21Cl2N3O3 MolecularWeight: 362.25154

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=C(C(=CC=C1)NCCCl)NCCCl)C(=O)O

Isomeric SMILES

CC(=O)NC(CC1=C(C(=CC=C1)NCCCl)NCCCl)C(=O)O

InChI

InChI=1S/C15H21Cl2N3O3/c1-10(21)20-13(15(22)23)9-11-3-2-4-12(18-7-5-16)14(11)19-8-6-17/h2-4,13,18-19H,5-9H2,1H3,(H,20,21)(H,22,23)