2-[[3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]-methyl-amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]-methyl-amino]-3-methyl-butanoic acid Openeye Name: 2-[[3-(4-cyanophenyl)-2-(2-naphthylsulfonylamino)propanoyl]-methyl-amino]-3-methyl-butanoic acid CAS Name: 2-[[3-(4-cyanophenyl)-2-(2-naphthalenylsulfonylamino)-1-oxopropyl]-methylamino]-3-methylbutanoic acid IUPAC Name: 2-[[3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]-methylamino]-3-methylbutanoic acid Traditional Name: 2-[[3-(4-cyanophenyl)-2-(2-naphthylsulfonylamino)propanoyl]-methyl-amino]-3-methyl-butyric acid Formula: C26H27N3O5S MolecularWeight: 493.57468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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