(phenylmethyl) 5-(1,3-benzothiazol-2-ylcarbamoylamino)-6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)hexanoate

Systemtic Name: (phenylmethyl) 5-(1,3-benzothiazol-2-ylcarbamoylamino)-6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)hexanoate Openeye Name: benzyl 5-(1,3-benzothiazol-2-ylcarbamoylamino)-6-oxo-6-(16-oxohexadecanoylamino)hexanoate CAS Name: 5-[[(1,3-benzothiazol-2-ylamino)-oxomethyl]amino]-6-(1,16-dioxohexadecylamino)-6-oxohexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(1,3-benzothiazol-2-ylcarbamoylamino)-6-oxo-6-(16-oxohexadecanoylamino)hexanoate Traditional Name: 5-(1,3-benzothiazol-2-ylcarbamoylamino)-6-keto-6-(16-ketohexadecanoylamino)hexanoic acid benzyl ester Formula: C37H50N4O6S MolecularWeight: 678.8811

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCCC(C(=O)NC(=O)CCCCCCCCCCCCCCC=O)NC(=O)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCCC(C(=O)NC(=O)CCCCCCCCCCCCCCC=O)NC(=O)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C37H50N4O6S/c42-27-18-11-9-7-5-3-1-2-4-6-8-10-15-25-33(43)40-35(45)31(23-19-26-34(44)47-28-29-20-13-12-14-21-29)38-36(46)41-37-39-30-22-16-17-24-32(30)48-37/h12-14,16-17,20-22,24,27,31H,1-11,15,18-19,23,25-26,28H2,(H,40,43,45)(H2,38,39,41,46)