3-[4-methyl-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-1-yl]-2-(naphthalen-2-ylsulfonylamino)propanoic acid

Systemtic Name: 3-[4-methyl-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-1-yl]-2-(naphthalen-2-ylsulfonylamino)propanoic acid Openeye Name: 3-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)-2-(2-naphthylsulfonylamino)propanoic acid CAS Name: 3-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)-2-(2-naphthalenylsulfonylamino)propanoic acid IUPAC Name: 3-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)-2-(naphthalen-2-ylsulfonylamino)propanoic acid Traditional Name: 3-(2,5-diketo-4-methyl-3H-1,4-benzodiazepin-1-yl)-2-(2-naphthylsulfonylamino)propionic acid Formula: C23H21N3O6S MolecularWeight: 467.49434

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(=O)N(C2=CC=CC=C2C1=O)CC(C(=O)O)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CN1CC(=O)N(C2=CC=CC=C2C1=O)CC(C(=O)O)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H21N3O6S/c1-25-14-21(27)26(20-9-5-4-8-18(20)22(25)28)13-19(23(29)30)24-33(31,32)17-11-10-15-6-2-3-7-16(15)12-17/h2-12,19,24H,13-14H2,1H3,(H,29,30)