(2S)-2-[[2-(2-chloranylethanoylamino)phenyl]carbonylamino]butanedioic acid

Systemtic Name: (2S)-2-[[2-(2-chloranylethanoylamino)phenyl]carbonylamino]butanedioic acid Openeye Name: (2S)-2-[[2-[(2-chloroacetyl)amino]benzoyl]amino]butanedioic acid CAS Name: (2S)-2-[[[2-[(2-chloro-1-oxoethyl)amino]phenyl]-oxomethyl]amino]butanedioic acid IUPAC Name: (2S)-2-[[2-[(2-chloroacetyl)amino]benzoyl]amino]butanedioic acid Traditional Name: (2S)-2-[[2-[(2-chloroacetyl)amino]benzoyl]amino]succinic acid Formula: C13H13ClN2O6 MolecularWeight: 328.70512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(CC(=O)O)C(=O)O)NC(=O)CCl

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClN2O6/c14-6-10(17)15-8-4-2-1-3-7(8)12(20)16-9(13(21)22)5-11(18)19/h1-4,9H,5-6H2,(H,15,17)(H,16,20)(H,18,19)(H,21,22)/t9-/m0/s1