[2-acetamido-3-methoxy-1-[3-[4-(sulfanylmethyl)heptanoylamino]phenoxy]propyl] ethanoate

Systemtic Name: [2-acetamido-3-methoxy-1-[3-[4-(sulfanylmethyl)heptanoylamino]phenoxy]propyl] ethanoate Openeye Name: [2-acetamido-3-methoxy-1-[3-[4-(sulfanylmethyl)heptanoylamino]phenoxy]propyl] acetate CAS Name: acetic acid [2-acetamido-1-[3-[[4-(mercaptomethyl)-1-oxoheptyl]amino]phenoxy]-3-methoxypropyl] ester IUPAC Name: [2-acetamido-3-methoxy-1-[3-[4-(sulfanylmethyl)heptanoylamino]phenoxy]propyl] acetate Traditional Name: acetic acid [2-acetamido-1-[3-[4-(mercaptomethyl)heptanoylamino]phenoxy]-3-methoxy-propyl] ester Formula: C22H34N2O6S MolecularWeight: 454.58016

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC(=O)NC1=CC(=CC=C1)OC(C(COC)NC(=O)C)OC(=O)C)CS

Isomeric SMILES

CCCC(CCC(=O)NC1=CC(=CC=C1)OC(C(COC)NC(=O)C)OC(=O)C)CS

InChI

InChI=1S/C22H34N2O6S/c1-5-7-17(14-31)10-11-21(27)24-18-8-6-9-19(12-18)30-22(29-16(3)26)20(13-28-4)23-15(2)25/h6,8-9,12,17,20,22,31H,5,7,10-11,13-14H2,1-4H3,(H,23,25)(H,24,27)