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

Systemtic Name: 5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-pentyl-amino]-4-(naphthalen-2-ylsulfonylmethyl)-5-oxidanylidene-pentanoic acid Openeye Name: 5-[(2-tert-butoxy-2-oxo-ethyl)-pentyl-amino]-4-(2-naphthylsulfonylmethyl)-5-oxo-pentanoic acid CAS Name: 5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-pentylamino]-4-(2-naphthalenylsulfonylmethyl)-5-oxopentanoic acid IUPAC Name: 5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-pentylamino]-4-(naphthalen-2-ylsulfonylmethyl)-5-oxopentanoic acid Traditional Name: 5-[amyl-(2-tert-butoxy-2-keto-ethyl)amino]-5-keto-4-(2-naphthylsulfonylmethyl)valeric acid Formula: C27H37NO7S MolecularWeight: 519.65018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37NO7S/c1-5-6-9-16-28(18-25(31)35-27(2,3)4)26(32)22(13-15-24(29)30)19-36(33,34)23-14-12-20-10-7-8-11-21(20)17-23/h7-8,10-12,14,17,22H,5-6,9,13,15-16,18-19H2,1-4H3,(H,29,30)