N-(2-azanylethyl)-2-[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]butanoylamino]-2-methyl-propanamide

Systemtic Name: N-(2-azanylethyl)-2-[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]butanoylamino]-2-methyl-propanamide Openeye Name: N-(2-aminoethyl)-2-[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]butanoylamino]-2-methyl-propanamide CAS Name: N-(2-aminoethyl)-2-methyl-2-[[1-oxo-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]butyl]amino]propanamide IUPAC Name: N-(2-aminoethyl)-2-methyl-2-[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]butanoylamino]propanamide Traditional Name: N-(2-aminoethyl)-2-[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]butanoylamino]-2-methyl-propionamide Formula: C29H45N5O8 MolecularWeight: 591.6963

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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)NCCN

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)NCCN

InChI

InChI=1S/C29H45N5O8/c1-16(2)22-19(26(34-33-22)42-27-25(39)24(38)23(37)20(15-35)41-27)14-18-10-8-17(9-11-18)6-5-7-21(36)32-29(3,4)28(40)31-13-12-30/h8-11,16,20,23-25,27,35,37-39H,5-7,12-15,30H2,1-4H3,(H,31,40)(H,32,36)(H,33,34)/t20-,23+,24+,25-,27+/m1/s1