(2S)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: (2S)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]propanoic acid Openeye Name: (2S)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: (2S)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[[oxo-[(2S)-2-pyrrolidinyl]methyl]amino]propanoic acid IUPAC Name: (2S)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid Traditional Name: (2S)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[[(2S)-prolyl]amino]propionic acid Formula: C18H25Cl2N3O3 MolecularWeight: 402.3154

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)NC(CC2=CC=C(C=C2)N(CCCl)CCCl)C(=O)O

Isomeric SMILES

C1C[C@H](NC1)C(=O)N[C@@H](CC2=CC=C(C=C2)N(CCCl)CCCl)C(=O)O

InChI

InChI=1S/C18H25Cl2N3O3/c19-7-10-23(11-8-20)14-5-3-13(4-6-14)12-16(18(25)26)22-17(24)15-2-1-9-21-15/h3-6,15-16,21H,1-2,7-12H2,(H,22,24)(H,25,26)/t15-,16-/m0/s1