(2S)-2-[methyl-[2-(naphthalen-1-ylsulfonylamino)-5-naphthalen-1-ylsulfonyloxy-phenyl]carbonyl-amino]butanedioic acid

Systemtic Name: (2S)-2-[methyl-[2-(naphthalen-1-ylsulfonylamino)-5-naphthalen-1-ylsulfonyloxy-phenyl]carbonyl-amino]butanedioic acid Openeye Name: (2S)-2-[methyl-[2-(1-naphthylsulfonylamino)-5-(1-naphthylsulfonyloxy)benzoyl]amino]butanedioic acid CAS Name: (2S)-2-[methyl-[[2-(1-naphthalenylsulfonylamino)-5-(1-naphthalenylsulfonyloxy)phenyl]-oxomethyl]amino]butanedioic acid IUPAC Name: (2S)-2-[methyl-[2-(naphthalen-1-ylsulfonylamino)-5-naphthalen-1-ylsulfonyloxybenzoyl]amino]butanedioic acid Traditional Name: (2S)-2-[methyl-[2-(1-naphthylsulfonylamino)-5-(1-naphthylsulfonyloxy)benzoyl]amino]succinic acid Formula: C32H26N2O10S2 MolecularWeight: 662.68624

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC(=O)O)C(=O)O)C(=O)C1=C(C=CC(=C1)OS(=O)(=O)C2=CC=CC3=CC=CC=C32)NS(=O)(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN([C@@H](CC(=O)O)C(=O)O)C(=O)C1=C(C=CC(=C1)OS(=O)(=O)C2=CC=CC3=CC=CC=C32)NS(=O)(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C32H26N2O10S2/c1-34(27(32(38)39)19-30(35)36)31(37)25-18-22(44-46(42,43)29-15-7-11-21-9-3-5-13-24(21)29)16-17-26(25)33-45(40,41)28-14-6-10-20-8-2-4-12-23(20)28/h2-18,27,33H,19H2,1H3,(H,35,36)(H,38,39)/t27-/m0/s1