5-[[2-(dimethylamino)-2-oxidanylidene-ethyl]-pentyl-amino]-4-(naphthalen-2-ylsulfonylmethyl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[2-(dimethylamino)-2-oxidanylidene-ethyl]-pentyl-amino]-4-(naphthalen-2-ylsulfonylmethyl)-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[2-(dimethylamino)-2-oxo-ethyl]-pentyl-amino]-4-(2-naphthylsulfonylmethyl)-5-oxo-pentanoic acid CAS Name: 5-[[2-(dimethylamino)-2-oxoethyl]-pentylamino]-4-(2-naphthalenylsulfonylmethyl)-5-oxopentanoic acid IUPAC Name: 5-[[2-(dimethylamino)-2-oxoethyl]-pentylamino]-4-(naphthalen-2-ylsulfonylmethyl)-5-oxopentanoic acid Traditional Name: 5-[amyl-[2-(dimethylamino)-2-keto-ethyl]amino]-5-keto-4-(2-naphthylsulfonylmethyl)valeric acid Formula: C25H34N2O6S MolecularWeight: 490.61226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC(=O)N(C)C)C(=O)C(CCC(=O)O)CS(=O)(=O)C1=CC2=CC=CC=C2C=C1

Isomeric SMILES

CCCCCN(CC(=O)N(C)C)C(=O)C(CCC(=O)O)CS(=O)(=O)C1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C25H34N2O6S/c1-4-5-8-15-27(17-23(28)26(2)3)25(31)21(12-14-24(29)30)18-34(32,33)22-13-11-19-9-6-7-10-20(19)16-22/h6-7,9-11,13,16,21H,4-5,8,12,14-15,17-18H2,1-3H3,(H,29,30)