4-oxidanylidene-3-[2-[2-oxidanylidene-5-phenyl-3-(quinolin-8-ylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]ethanoylamino]butanoic acid

Systemtic Name: 4-oxidanylidene-3-[2-[2-oxidanylidene-5-phenyl-3-(quinolin-8-ylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]ethanoylamino]butanoic acid Openeye Name: 4-oxo-3-[[2-[2-oxo-5-phenyl-3-(8-quinolylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]acetyl]amino]butanoic acid CAS Name: 4-oxo-3-[[1-oxo-2-[2-oxo-5-phenyl-3-(8-quinolinylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]ethyl]amino]butanoic acid IUPAC Name: 4-oxo-3-[[2-[2-oxo-5-phenyl-3-(quinolin-8-ylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]acetyl]amino]butanoic acid Traditional Name: 4-keto-3-[[2-[2-keto-5-phenyl-3-(8-quinolylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]acetyl]amino]butyric acid Formula: C30H25N5O7S MolecularWeight: 599.6138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=CC=CC=C32)CC(=O)NC(CC(=O)O)C=O)NS(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=CC=CC=C32)CC(=O)NC(CC(=O)O)C=O)NS(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C30H25N5O7S/c36-18-21(16-26(38)39)32-25(37)17-35-23-13-5-4-12-22(23)27(19-8-2-1-3-9-19)33-29(30(35)40)34-43(41,42)24-14-6-10-20-11-7-15-31-28(20)24/h1-15,18,21,29,34H,16-17H2,(H,32,37)(H,38,39)