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

Systemtic Name: (2S)-2-[bis(2-chloroethyl)amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[bis(2-chloroethyl)amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[bis(2-chloroethyl)amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[bis(2-chloroethyl)amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[bis(2-chloroethyl)amino]-3-phenyl-propionic acid Formula: C13H17Cl2NO2 MolecularWeight: 290.18558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)N(CCCl)CCCl

Isomeric SMILES

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

InChI

InChI=1S/C13H17Cl2NO2/c14-6-8-16(9-7-15)12(13(17)18)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,17,18)/t12-/m0/s1