4-(2-azanyl-3-phenyl-propanoyl)-6-oxidanylidene-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid

Systemtic Name: 4-(2-azanyl-3-phenyl-propanoyl)-6-oxidanylidene-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid Openeye Name: 4-(2-amino-3-phenyl-propanoyl)-6-oxo-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid CAS Name: 4-(2-amino-1-oxo-3-phenylpropyl)-6-oxo-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid IUPAC Name: 4-(2-amino-3-phenylpropanoyl)-6-oxo-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid Traditional Name: 6-keto-4-phenylalanyl-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid Formula: C14H17N3O5S MolecularWeight: 339.36688

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2C1N(C2=O)S(=O)(=O)O)C(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

C1CN(C2C1N(C2=O)S(=O)(=O)O)C(=O)C(CC3=CC=CC=C3)N

InChI

InChI=1S/C14H17N3O5S/c15-10(8-9-4-2-1-3-5-9)13(18)16-7-6-11-12(16)14(19)17(11)23(20,21)22/h1-5,10-12H,6-8,15H2,(H,20,21,22)