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

Systemtic Name: 5-[[2-(diethylamino)-2-oxidanylidene-ethyl]-pentyl-amino]-4-(naphthalen-2-ylsulfonylmethyl)-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[2-(diethylamino)-2-oxo-ethyl]-pentyl-amino]-4-(2-naphthylsulfonylmethyl)-5-oxo-pentanoic acid CAS Name: 5-[[2-(diethylamino)-2-oxoethyl]-pentylamino]-4-(2-naphthalenylsulfonylmethyl)-5-oxopentanoic acid IUPAC Name: 5-[[2-(diethylamino)-2-oxoethyl]-pentylamino]-4-(naphthalen-2-ylsulfonylmethyl)-5-oxopentanoic acid Traditional Name: 5-[amyl-[2-(diethylamino)-2-keto-ethyl]amino]-5-keto-4-(2-naphthylsulfonylmethyl)valeric acid Formula: C27H38N2O6S MolecularWeight: 518.66542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38N2O6S/c1-4-7-10-17-29(19-25(30)28(5-2)6-3)27(33)23(14-16-26(31)32)20-36(34,35)24-15-13-21-11-8-9-12-22(21)18-24/h8-9,11-13,15,18,23H,4-7,10,14,16-17,19-20H2,1-3H3,(H,31,32)