methyl 5-[[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-pentyl-amino]-4-(naphthalen-2-ylsulfonylmethyl)-5-oxidanylidene-pentanoate

Systemtic Name: methyl 5-[[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-pentyl-amino]-4-(naphthalen-2-ylsulfonylmethyl)-5-oxidanylidene-pentanoate Openeye Name: methyl 5-[[2-(cyclohexylamino)-2-oxo-ethyl]-pentyl-amino]-4-(2-naphthylsulfonylmethyl)-5-oxo-pentanoate CAS Name: 5-[[2-(cyclohexylamino)-2-oxoethyl]-pentylamino]-4-(2-naphthalenylsulfonylmethyl)-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[[2-(cyclohexylamino)-2-oxoethyl]-pentylamino]-4-(naphthalen-2-ylsulfonylmethyl)-5-oxopentanoate Traditional Name: 5-[amyl-[2-(cyclohexylamino)-2-keto-ethyl]amino]-5-keto-4-(2-naphthylsulfonylmethyl)valeric acid methyl ester Formula: C30H42N2O6S MolecularWeight: 558.72928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H42N2O6S/c1-3-4-10-19-32(21-28(33)31-26-13-6-5-7-14-26)30(35)25(16-18-29(34)38-2)22-39(36,37)27-17-15-23-11-8-9-12-24(23)20-27/h8-9,11-12,15,17,20,25-26H,3-7,10,13-14,16,18-19,21-22H2,1-2H3,(H,31,33)