4-[4-[[3-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-propan-2-yl-1H-pyrazol-4-yl]methyl]phenyl]-N-(2-methyl-1-oxidanylidene-1-piperazin-1-yl-propan-2-yl)butanamide

Systemtic Name: 4-[4-[[3-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-propan-2-yl-1H-pyrazol-4-yl]methyl]phenyl]-N-(2-methyl-1-oxidanylidene-1-piperazin-1-yl-propan-2-yl)butanamide Openeye Name: N-(1,1-dimethyl-2-oxo-2-piperazin-1-yl-ethyl)-4-[4-[[5-isopropyl-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1H-pyrazol-4-yl]methyl]phenyl]butanamide CAS Name: N-[2-methyl-1-oxo-1-(1-piperazinyl)propan-2-yl]-4-[4-[[5-propan-2-yl-3-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1H-pyrazol-4-yl]methyl]phenyl]butanamide IUPAC Name: N-(2-methyl-1-oxo-1-piperazin-1-ylpropan-2-yl)-4-[4-[[5-propan-2-yl-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-pyrazol-4-yl]methyl]phenyl]butanamide Traditional Name: 4-[4-[[5-isopropyl-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1H-pyrazol-4-yl]methyl]phenyl]-N-(2-keto-1,1-dimethyl-2-piperazino-ethyl)butyramide Formula: C31H47N5O8 MolecularWeight: 617.73358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NN1)OC2C(C(C(C(O2)CO)O)O)O)CC3=CC=C(C=C3)CCCC(=O)NC(C)(C)C(=O)N4CCNCC4

Isomeric SMILES

CC(C)C1=C(C(=NN1)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)CC3=CC=C(C=C3)CCCC(=O)NC(C)(C)C(=O)N4CCNCC4

InChI

InChI=1S/C31H47N5O8/c1-18(2)24-21(28(35-34-24)44-29-27(41)26(40)25(39)22(17-37)43-29)16-20-10-8-19(9-11-20)6-5-7-23(38)33-31(3,4)30(42)36-14-12-32-13-15-36/h8-11,18,22,25-27,29,32,37,39-41H,5-7,12-17H2,1-4H3,(H,33,38)(H,34,35)/t22-,25+,26+,27-,29+/m1/s1