3-[2-methylpropanoyl(octadecyl)amino]-4-oxidanylidene-4-[(3-oxidanylidene-1,2-dihydroindazol-6-yl)amino]butanoic acid

Systemtic Name: 3-[2-methylpropanoyl(octadecyl)amino]-4-oxidanylidene-4-[(3-oxidanylidene-1,2-dihydroindazol-6-yl)amino]butanoic acid Openeye Name: 3-[2-methylpropanoyl(octadecyl)amino]-4-oxo-4-[(3-oxo-1,2-dihydroindazol-6-yl)amino]butanoic acid CAS Name: 3-[(2-methyl-1-oxopropyl)-octadecylamino]-4-oxo-4-[(3-oxo-1,2-dihydroindazol-6-yl)amino]butanoic acid IUPAC Name: 3-[2-methylpropanoyl(octadecyl)amino]-4-oxo-4-[(3-oxo-1,2-dihydroindazol-6-yl)amino]butanoic acid Traditional Name: 3-[isobutyryl(stearyl)amino]-4-keto-4-[(3-ketoindazolin-6-yl)amino]butyric acid Formula: C33H54N4O5 MolecularWeight: 586.80566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C(CC(=O)O)C(=O)NC1=CC2=C(C=C1)C(=O)NN2)C(=O)C(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C(CC(=O)O)C(=O)NC1=CC2=C(C=C1)C(=O)NN2)C(=O)C(C)C

InChI

InChI=1S/C33H54N4O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-37(33(42)25(2)3)29(24-30(38)39)32(41)34-26-20-21-27-28(23-26)35-36-31(27)40/h20-21,23,25,29H,4-19,22,24H2,1-3H3,(H,34,41)(H,38,39)(H2,35,36,40)