2-[1,3-benzothiazol-2-yl-[2-[(1-ethoxy-5-methyl-1-oxidanylidene-hexan-2-yl)amino]propanoyl]amino]propanoic acid

Systemtic Name: 2-[1,3-benzothiazol-2-yl-[2-[(1-ethoxy-5-methyl-1-oxidanylidene-hexan-2-yl)amino]propanoyl]amino]propanoic acid Openeye Name: 2-[1,3-benzothiazol-2-yl-[2-[(1-ethoxycarbonyl-4-methyl-pentyl)amino]propanoyl]amino]propanoic acid CAS Name: 2-[1,3-benzothiazol-2-yl-[2-[(1-ethoxy-5-methyl-1-oxohexan-2-yl)amino]-1-oxopropyl]amino]propanoic acid IUPAC Name: 2-[1,3-benzothiazol-2-yl-[2-[(1-ethoxy-5-methyl-1-oxohexan-2-yl)amino]propanoyl]amino]propanoic acid Traditional Name: 2-[1,3-benzothiazol-2-yl-[2-[(1-carbethoxy-4-methyl-pentyl)amino]propanoyl]amino]propionic acid Formula: C22H31N3O5S MolecularWeight: 449.56364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC(C)C)NC(C)C(=O)N(C1=NC2=CC=CC=C2S1)C(C)C(=O)O

Isomeric SMILES

CCOC(=O)C(CCC(C)C)NC(C)C(=O)N(C1=NC2=CC=CC=C2S1)C(C)C(=O)O

InChI

InChI=1S/C22H31N3O5S/c1-6-30-21(29)17(12-11-13(2)3)23-14(4)19(26)25(15(5)20(27)28)22-24-16-9-7-8-10-18(16)31-22/h7-10,13-15,17,23H,6,11-12H2,1-5H3,(H,27,28)