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

Systemtic Name: 2-[[2-(3,3-diacetyloxypropylsulfonylmethyl)-3-naphthalen-1-yl-propanoyl]amino]hexanoic acid Openeye Name: 2-[[2-(3,3-diacetoxypropylsulfonylmethyl)-3-(1-naphthyl)propanoyl]amino]hexanoic acid CAS Name: 2-[[2-(3,3-diacetyloxypropylsulfonylmethyl)-3-(1-naphthalenyl)-1-oxopropyl]amino]hexanoic acid IUPAC Name: 2-[[2-(3,3-diacetyloxypropylsulfonylmethyl)-3-naphthalen-1-ylpropanoyl]amino]hexanoic acid Traditional Name: 2-[[2-(3,3-diacetoxypropylsulfonylmethyl)-3-(1-naphthyl)propanoyl]amino]hexanoic acid Formula: C27H35NO9S MolecularWeight: 549.6331

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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)CCC(OC(=O)C)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C27H35NO9S/c1-4-5-13-24(27(32)33)28-26(31)22(16-21-11-8-10-20-9-6-7-12-23(20)21)17-38(34,35)15-14-25(36-18(2)29)37-19(3)30/h6-12,22,24-25H,4-5,13-17H2,1-3H3,(H,28,31)(H,32,33)