2-(aminocarbonylamino)-3-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]benzenesulfinate

Systemtic Name: 2-(aminocarbonylamino)-3-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]benzenesulfinate Openeye Name: 3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-ureido-benzenesulfinate CAS Name: 2-(carbamoylamino)-3-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]benzenesulfinate IUPAC Name: 2-(carbamoylamino)-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]benzenesulfinate Traditional Name: 3-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-ureido-benzenesulfinate Formula: C28H26N5O5S- MolecularWeight: 544.60154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)C4=C(C(=CC=C4)S(=O)[O-])NC(=O)N)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)C4=C(C(=CC=C4)S(=O)[O-])NC(=O)N)C5=CC=CC=C5

InChI

InChI=1S/C28H27N5O5S/c29-28(36)31-25-20(12-8-14-22(25)39(37)38)26-27(35)33(17-23(34)32-15-6-7-16-32)21-13-5-4-11-19(21)24(30-26)18-9-2-1-3-10-18/h1-5,8-14,26H,6-7,15-17H2,(H,37,38)(H3,29,31,36)/p-1