3-methylbutyl (3R,4S)-3-acetamido-4-[4-(1-oxidanylpropyl)-1,2,3-triazol-1-yl]-2-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]-3,4-dihydro-2H-pyran-6-carboxylate

Systemtic Name: 3-methylbutyl (3R,4S)-3-acetamido-4-[4-(1-oxidanylpropyl)-1,2,3-triazol-1-yl]-2-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]-3,4-dihydro-2H-pyran-6-carboxylate Openeye Name: isopentyl (3R,4S)-3-acetamido-4-[4-(1-hydroxypropyl)triazol-1-yl]-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylate CAS Name: (3R,4S)-3-acetamido-4-[4-(1-hydroxypropyl)-1-triazolyl]-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl (3R,4S)-3-acetamido-4-[4-(1-hydroxypropyl)triazol-1-yl]-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylate Traditional Name: (3R,4S)-3-acetamido-4-[4-(1-hydroxypropyl)triazol-1-yl]-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid isoamyl ester Formula: C21H34N4O8 MolecularWeight: 470.51666

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CN(N=N1)C2C=C(OC(C2NC(=O)C)C(C(CO)O)O)C(=O)OCCC(C)C)O

Isomeric SMILES

CCC(C1=CN(N=N1)[C@H]2C=C(OC([C@@H]2NC(=O)C)[C@@H]([C@@H](CO)O)O)C(=O)OCCC(C)C)O

InChI

InChI=1S/C21H34N4O8/c1-5-15(28)13-9-25(24-23-13)14-8-17(21(31)32-7-6-11(2)3)33-20(18(14)22-12(4)27)19(30)16(29)10-26/h8-9,11,14-16,18-20,26,28-30H,5-7,10H2,1-4H3,(H,22,27)/t14-,15?,16+,18+,19+,20?/m0/s1