2-[[3-[[3-(naphthalen-2-ylsulfonylamino)phenyl]carbonylamino]-2-oxidanyl-4-phenyl-butanoyl]amino]ethanoic acid

Systemtic Name: 2-[[3-[[3-(naphthalen-2-ylsulfonylamino)phenyl]carbonylamino]-2-oxidanyl-4-phenyl-butanoyl]amino]ethanoic acid Openeye Name: 2-[[2-hydroxy-3-[[3-(2-naphthylsulfonylamino)benzoyl]amino]-4-phenyl-butanoyl]amino]acetic acid CAS Name: 2-[[2-hydroxy-3-[[[3-(2-naphthalenylsulfonylamino)phenyl]-oxomethyl]amino]-1-oxo-4-phenylbutyl]amino]acetic acid IUPAC Name: 2-[[2-hydroxy-3-[[3-(naphthalen-2-ylsulfonylamino)benzoyl]amino]-4-phenylbutanoyl]amino]acetic acid Traditional Name: 2-[[2-hydroxy-3-[[3-(2-naphthylsulfonylamino)benzoyl]amino]-4-phenyl-butanoyl]amino]acetic acid Formula: C29H27N3O7S MolecularWeight: 561.60558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(C(=O)NCC(=O)O)O)NC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(C(C(=O)NCC(=O)O)O)NC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C29H27N3O7S/c33-26(34)18-30-29(37)27(35)25(15-19-7-2-1-3-8-19)31-28(36)22-11-6-12-23(16-22)32-40(38,39)24-14-13-20-9-4-5-10-21(20)17-24/h1-14,16-17,25,27,32,35H,15,18H2,(H,30,37)(H,31,36)(H,33,34)