5-(1,3-benzothiazol-2-ylcarbamoylamino)-6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)hexanoic acid

Systemtic Name: 5-(1,3-benzothiazol-2-ylcarbamoylamino)-6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)hexanoic acid Openeye Name: 5-(1,3-benzothiazol-2-ylcarbamoylamino)-6-oxo-6-(16-oxohexadecanoylamino)hexanoic acid CAS Name: 5-[[(1,3-benzothiazol-2-ylamino)-oxomethyl]amino]-6-(1,16-dioxohexadecylamino)-6-oxohexanoic acid IUPAC Name: 5-(1,3-benzothiazol-2-ylcarbamoylamino)-6-oxo-6-(16-oxohexadecanoylamino)hexanoic acid Traditional Name: 5-(1,3-benzothiazol-2-ylcarbamoylamino)-6-keto-6-(16-ketohexadecanoylamino)hexanoic acid Formula: C30H44N4O6S MolecularWeight: 588.75856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)NC(CCCC(=O)O)C(=O)NC(=O)CCCCCCCCCCCCCCC=O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)NC(CCCC(=O)O)C(=O)NC(=O)CCCCCCCCCCCCCCC=O

InChI

InChI=1S/C30H44N4O6S/c35-22-15-11-9-7-5-3-1-2-4-6-8-10-12-20-26(36)33-28(39)24(18-16-21-27(37)38)31-29(40)34-30-32-23-17-13-14-19-25(23)41-30/h13-14,17,19,22,24H,1-12,15-16,18,20-21H2,(H,37,38)(H,33,36,39)(H2,31,32,34,40)