6-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]-2-but-2-ynoxy-4-phenylsulfanyl-hexanoic acid

Systemtic Name: 6-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]-2-but-2-ynoxy-4-phenylsulfanyl-hexanoic acid Openeye Name: 2-but-2-ynoxy-6-[[2-(1,3-dioxoisoindolin-2-yl)acetyl]amino]-4-phenylsulfanyl-hexanoic acid CAS Name: 2-but-2-ynoxy-6-[[2-(1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]-4-(phenylthio)hexanoic acid IUPAC Name: 2-but-2-ynoxy-6-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-phenylsulfanylhexanoic acid Traditional Name: 2-but-2-ynoxy-4-(phenylthio)-6-[(2-phthalimidoacetyl)amino]hexanoic acid Formula: C26H26N2O6S MolecularWeight: 494.55944

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC(CC(CCNC(=O)CN1C(=O)C2=CC=CC=C2C1=O)SC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC#CCOC(CC(CCNC(=O)CN1C(=O)C2=CC=CC=C2C1=O)SC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C26H26N2O6S/c1-2-3-15-34-22(26(32)33)16-19(35-18-9-5-4-6-10-18)13-14-27-23(29)17-28-24(30)20-11-7-8-12-21(20)25(28)31/h4-12,19,22H,13-17H2,1H3,(H,27,29)(H,32,33)