O1-(16-oxidanylidenehexadecanoyl) O6-(phenylmethyl) 2-(1,3-benzothiazol-2-ylcarbamoylamino)hexanedioate

Systemtic Name: O1-(16-oxidanylidenehexadecanoyl) O6-(phenylmethyl) 2-(1,3-benzothiazol-2-ylcarbamoylamino)hexanedioate Openeye Name: O6-benzyl O1-(16-oxohexadecanoyl) 2-(1,3-benzothiazol-2-ylcarbamoylamino)hexanedioate CAS Name: 2-[[(1,3-benzothiazol-2-ylamino)-oxomethyl]amino]hexanedioic acid O1-(1,16-dioxohexadecyl) ester O6-(phenylmethyl) ester IUPAC Name: 6-O-benzyl 1-O-(16-oxohexadecanoyl) 2-(1,3-benzothiazol-2-ylcarbamoylamino)hexanedioate Traditional Name: 2-(1,3-benzothiazol-2-ylcarbamoylamino)adipic acid O6-benzyl ester O1-(16-ketohexadecanoyl) ester Formula: C37H49N3O7S MolecularWeight: 679.86586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H49N3O7S/c41-27-18-11-9-7-5-3-1-2-4-6-8-10-15-25-34(43)47-35(44)31(23-19-26-33(42)46-28-29-20-13-12-14-21-29)38-36(45)40-37-39-30-22-16-17-24-32(30)48-37/h12-14,16-17,20-22,24,27,31H,1-11,15,18-19,23,25-26,28H2,(H2,38,39,40,45)