2-[[2-[2-(2,2-dimethylpropanoyloxy)ethylsulfonylmethyl]-3-naphthalen-1-yl-propanoyl]amino]hexanoic acid

Systemtic Name: 2-[[2-[2-(2,2-dimethylpropanoyloxy)ethylsulfonylmethyl]-3-naphthalen-1-yl-propanoyl]amino]hexanoic acid Openeye Name: 2-[[2-[2-(2,2-dimethylpropanoyloxy)ethylsulfonylmethyl]-3-(1-naphthyl)propanoyl]amino]hexanoic acid CAS Name: 2-[[2-[2-(2,2-dimethyl-1-oxopropoxy)ethylsulfonylmethyl]-3-(1-naphthalenyl)-1-oxopropyl]amino]hexanoic acid IUPAC Name: 2-[[2-[2-(2,2-dimethylpropanoyloxy)ethylsulfonylmethyl]-3-naphthalen-1-ylpropanoyl]amino]hexanoic acid Traditional Name: 2-[[2-(1-naphthylmethyl)-3-(2-pivaloyloxyethylsulfonyl)propanoyl]amino]hexanoic acid Formula: C27H37NO7S MolecularWeight: 519.65018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)C(CC1=CC=CC2=CC=CC=C21)CS(=O)(=O)CCOC(=O)C(C)(C)C

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)C(CC1=CC=CC2=CC=CC=C21)CS(=O)(=O)CCOC(=O)C(C)(C)C

InChI

InChI=1S/C27H37NO7S/c1-5-6-14-23(25(30)31)28-24(29)21(17-20-12-9-11-19-10-7-8-13-22(19)20)18-36(33,34)16-15-35-26(32)27(2,3)4/h7-13,21,23H,5-6,14-18H2,1-4H3,(H,28,29)(H,30,31)