(2S)-4-azanyl-2-[[2-(2-chloranylethanoylamino)phenyl]carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-4-azanyl-2-[[2-(2-chloranylethanoylamino)phenyl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: (2S)-4-amino-2-[[2-[(2-chloroacetyl)amino]benzoyl]amino]-4-oxo-butanoic acid CAS Name: (2S)-4-amino-2-[[[2-[(2-chloro-1-oxoethyl)amino]phenyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: (2S)-4-amino-2-[[2-[(2-chloroacetyl)amino]benzoyl]amino]-4-oxobutanoic acid Traditional Name: (2S)-4-amino-2-[[2-[(2-chloroacetyl)amino]benzoyl]amino]-4-keto-butyric acid Formula: C13H14ClN3O5 MolecularWeight: 327.72036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClN3O5/c14-6-11(19)16-8-4-2-1-3-7(8)12(20)17-9(13(21)22)5-10(15)18/h1-4,9H,5-6H2,(H2,15,18)(H,16,19)(H,17,20)(H,21,22)/t9-/m0/s1