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

Systemtic Name: 3-[(2-methyl-3-oxidanylidene-henicosan-4-yl)amino]-4-oxidanylidene-4-[(3-oxidanylidene-1,2-dihydroindazol-6-yl)amino]butanoic acid Openeye Name: 3-[1-(2-methylpropanoyl)octadecylamino]-4-oxo-4-[(3-oxo-1,2-dihydroindazol-6-yl)amino]butanoic acid CAS Name: 3-[(2-methyl-3-oxoheneicosan-4-yl)amino]-4-oxo-4-[(3-oxo-1,2-dihydroindazol-6-yl)amino]butanoic acid IUPAC Name: 3-[(2-methyl-3-oxohenicosan-4-yl)amino]-4-oxo-4-[(3-oxo-1,2-dihydroindazol-6-yl)amino]butanoic acid Traditional Name: 3-(1-isobutyryloctadecylamino)-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:

CCCCCCCCCCCCCCCCCC(C(=O)C(C)C)NC(CC(=O)O)C(=O)NC1=CC2=C(C=C1)C(=O)NN2

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(C(=O)C(C)C)NC(CC(=O)O)C(=O)NC1=CC2=C(C=C1)C(=O)NN2

InChI

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