(2S)-2-[3-[3-[4-[[3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-propan-2-yl-1H-pyrazol-4-yl]methyl]-3-methyl-phenoxy]propylamino]propanoylamino]-3-oxidanyl-propanamide

Systemtic Name: (2S)-2-[3-[3-[4-[[3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-propan-2-yl-1H-pyrazol-4-yl]methyl]-3-methyl-phenoxy]propylamino]propanoylamino]-3-oxidanyl-propanamide Openeye Name: (2S)-3-hydroxy-2-[3-[3-[4-[[5-isopropyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1H-pyrazol-4-yl]methyl]-3-methyl-phenoxy]propylamino]propanoylamino]propanamide CAS Name: (2S)-3-hydroxy-2-[[3-[3-[3-methyl-4-[[5-propan-2-yl-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1H-pyrazol-4-yl]methyl]phenoxy]propylamino]-1-oxopropyl]amino]propanamide IUPAC Name: (2S)-3-hydroxy-2-[3-[3-[3-methyl-4-[[5-propan-2-yl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-pyrazol-4-yl]methyl]phenoxy]propylamino]propanoylamino]propanamide Traditional Name: (2S)-3-hydroxy-2-[3-[3-[4-[[5-isopropyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1H-pyrazol-4-yl]methyl]-3-methyl-phenoxy]propylamino]propanoylamino]propionamide Formula: C29H45N5O10 MolecularWeight: 623.6951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCNCCC(=O)NC(CO)C(=O)N)CC2=C(NN=C2OC3C(C(C(C(O3)CO)O)O)O)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCNCCC(=O)N[C@@H](CO)C(=O)N)CC2=C(NN=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(C)C

InChI

InChI=1S/C29H45N5O10/c1-15(2)23-19(28(34-33-23)44-29-26(40)25(39)24(38)21(14-36)43-29)12-17-5-6-18(11-16(17)3)42-10-4-8-31-9-7-22(37)32-20(13-35)27(30)41/h5-6,11,15,20-21,24-26,29,31,35-36,38-40H,4,7-10,12-14H2,1-3H3,(H2,30,41)(H,32,37)(H,33,34)/t20-,21+,24+,25-,26+,29-/m0/s1