6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl)oxy-5-(1,3-benzothiazol-2-ylcarbamoylamino)-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl)oxy-5-(1,3-benzothiazol-2-ylcarbamoylamino)-6-oxidanylidene-hexanoic acid Openeye Name: 6-[1-(2-amino-2-oxo-ethyl)tetradecoxy]-5-(1,3-benzothiazol-2-ylcarbamoylamino)-6-oxo-hexanoic acid CAS Name: 6-(1-amino-1-oxohexadecan-3-yl)oxy-5-[[(1,3-benzothiazol-2-ylamino)-oxomethyl]amino]-6-oxohexanoic acid IUPAC Name: 6-(1-amino-1-oxohexadecan-3-yl)oxy-5-(1,3-benzothiazol-2-ylcarbamoylamino)-6-oxohexanoic acid Traditional Name: 6-[1-(2-amino-2-keto-ethyl)tetradecoxy]-5-(1,3-benzothiazol-2-ylcarbamoylamino)-6-keto-hexanoic acid Formula: C30H46N4O6S MolecularWeight: 590.77444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)C(CCCC(=O)O)NC(=O)NC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)C(CCCC(=O)O)NC(=O)NC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C30H46N4O6S/c1-2-3-4-5-6-7-8-9-10-11-12-16-22(21-26(31)35)40-28(38)24(18-15-20-27(36)37)32-29(39)34-30-33-23-17-13-14-19-25(23)41-30/h13-14,17,19,22,24H,2-12,15-16,18,20-21H2,1H3,(H2,31,35)(H,36,37)(H2,32,33,34,39)