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

Systemtic Name: 5-[[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-pentyl-amino]-4-(naphthalen-2-ylsulfonylmethyl)-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[2-(cyclohexylamino)-2-oxo-ethyl]-pentyl-amino]-4-(2-naphthylsulfonylmethyl)-5-oxo-pentanoic acid CAS Name: 5-[[2-(cyclohexylamino)-2-oxoethyl]-pentylamino]-4-(2-naphthalenylsulfonylmethyl)-5-oxopentanoic acid IUPAC Name: 5-[[2-(cyclohexylamino)-2-oxoethyl]-pentylamino]-4-(naphthalen-2-ylsulfonylmethyl)-5-oxopentanoic acid Traditional Name: 5-[amyl-[2-(cyclohexylamino)-2-keto-ethyl]amino]-5-keto-4-(2-naphthylsulfonylmethyl)valeric acid Formula: C29H40N2O6S MolecularWeight: 544.7027

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC(=O)NC1CCCCC1)C(=O)C(CCC(=O)O)CS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCCCCN(CC(=O)NC1CCCCC1)C(=O)C(CCC(=O)O)CS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C29H40N2O6S/c1-2-3-9-18-31(20-27(32)30-25-12-5-4-6-13-25)29(35)24(15-17-28(33)34)21-38(36,37)26-16-14-22-10-7-8-11-23(22)19-26/h7-8,10-11,14,16,19,24-25H,2-6,9,12-13,15,17-18,20-21H2,1H3,(H,30,32)(H,33,34)