3-[[2,4-bis(oxidanylidene)-1,5-dihydro-1,5-benzodiazepin-7-yl]sulfonylamino]propanoic acid

Systemtic Name: 3-[[2,4-bis(oxidanylidene)-1,5-dihydro-1,5-benzodiazepin-7-yl]sulfonylamino]propanoic acid Openeye Name: 3-[(2,4-dioxo-1,5-dihydro-1,5-benzodiazepin-7-yl)sulfonylamino]propanoic acid CAS Name: 3-[(2,4-dioxo-1,5-dihydro-1,5-benzodiazepin-7-yl)sulfonylamino]propanoic acid IUPAC Name: 3-[(2,4-dioxo-1,5-dihydro-1,5-benzodiazepin-7-yl)sulfonylamino]propanoic acid Traditional Name: 3-[(2,4-diketo-1,5-dihydro-1,5-benzodiazepin-7-yl)sulfonylamino]propionic acid Formula: C12H13N3O6S MolecularWeight: 327.31312

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)O)NC1=O

Isomeric SMILES

C1C(=O)NC2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)O)NC1=O

InChI

InChI=1S/C12H13N3O6S/c16-10-6-11(17)15-9-5-7(1-2-8(9)14-10)22(20,21)13-4-3-12(18)19/h1-2,5,13H,3-4,6H2,(H,14,16)(H,15,17)(H,18,19)