(2S)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: (2S)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonylamino]propanoic acid Openeye Name: (2S)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: (2S)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[[oxo-[(2S)-5-oxo-2-pyrrolidinyl]methyl]amino]propanoic acid IUPAC Name: (2S)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoic acid Traditional Name: (2S)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[[(2S)-5-ketoprolyl]amino]propionic acid Formula: C18H23Cl2N3O4 MolecularWeight: 416.29892

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC1C(=O)NC(CC2=CC=C(C=C2)N(CCCl)CCCl)C(=O)O

Isomeric SMILES

C1CC(=O)N[C@@H]1C(=O)N[C@@H](CC2=CC=C(C=C2)N(CCCl)CCCl)C(=O)O

InChI

InChI=1S/C18H23Cl2N3O4/c19-7-9-23(10-8-20)13-3-1-12(2-4-13)11-15(18(26)27)22-17(25)14-5-6-16(24)21-14/h1-4,14-15H,5-11H2,(H,21,24)(H,22,25)(H,26,27)/t14-,15-/m0/s1