(2S)-2-azanyl-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid dihydrochloride

Systemtic Name: (2S)-2-azanyl-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid dihydrochloride Openeye Name: (2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid dihydrochloride CAS Name: (2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid dihydrochloride IUPAC Name: (2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid dihydrochloride Traditional Name: (2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propionic acid dihydrochloride Formula: C13H20Cl4N2O2 MolecularWeight: 378.1221

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)N)N(CCCl)CCCl.Cl.Cl

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](C(=O)O)N)N(CCCl)CCCl.Cl.Cl

InChI

InChI=1S/C13H18Cl2N2O2.2ClH/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19;;/h1-4,12H,5-9,16H2,(H,18,19);2*1H/t12-;;/m0../s1