2-[butyl-[3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]amino]ethanoic acid

Systemtic Name: 2-[butyl-[3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]amino]ethanoic acid Openeye Name: 2-[butyl-[3-(4-cyanophenyl)-2-(2-naphthylsulfonylamino)propanoyl]amino]acetic acid CAS Name: 2-[butyl-[3-(4-cyanophenyl)-2-(2-naphthalenylsulfonylamino)-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[butyl-[3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]amino]acetic acid Traditional Name: 2-[butyl-[3-(4-cyanophenyl)-2-(2-naphthylsulfonylamino)propanoyl]amino]acetic acid Formula: C26H27N3O5S MolecularWeight: 493.57468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)O)C(=O)C(CC1=CC=C(C=C1)C#N)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCCCN(CC(=O)O)C(=O)C(CC1=CC=C(C=C1)C#N)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C26H27N3O5S/c1-2-3-14-29(18-25(30)31)26(32)24(15-19-8-10-20(17-27)11-9-19)28-35(33,34)23-13-12-21-6-4-5-7-22(21)16-23/h4-13,16,24,28H,2-3,14-15,18H2,1H3,(H,30,31)