3-chloranyl-5-(oxidanylamino)-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: 3-chloranyl-5-(oxidanylamino)-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-chloro-5-(hydroxyamino)-5-oxo-pentanoic acid CAS Name: 3-chloro-5-(hydroxyamino)-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: 3-chloro-5-(hydroxyamino)-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-chloro-5-(hydroxyamino)-5-keto-valeric acid Formula: C13H15ClN2O6 MolecularWeight: 330.721

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(C(CC(=O)NO)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(C(CC(=O)NO)Cl)C(=O)O

InChI

InChI=1S/C13H15ClN2O6/c14-9(6-10(17)16-21)11(12(18)19)15-13(20)22-7-8-4-2-1-3-5-8/h1-5,9,11,21H,6-7H2,(H,15,20)(H,16,17)(H,18,19)