(2S)-2-[[8-[(2R,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,6,7,8-tetrahydronaphthalen-2-yl]carbonylamino]propanoic acid

Systemtic Name: (2S)-2-[[8-[(2R,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,6,7,8-tetrahydronaphthalen-2-yl]carbonylamino]propanoic acid Openeye Name: (2S)-2-[[4-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxytetralin-6-carbonyl]amino]propanoic acid CAS Name: (2S)-2-[[oxo-[8-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]amino]propanoic acid IUPAC Name: (2S)-2-[[8-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl]amino]propanoic acid Traditional Name: (2S)-2-[[4-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxytetralin-6-carbonyl]amino]propionic acid Formula: C20H27NO8 MolecularWeight: 409.43028

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2CCCC3=C2C=C(C=C3)C(=O)NC(C)C(=O)O)O)O)O

Isomeric SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC2CCCC3=C2C=C(C=C3)C(=O)N[C@@H](C)C(=O)O)O)O)O

InChI

InChI=1S/C20H27NO8/c1-9(19(26)27)21-18(25)12-7-6-11-4-3-5-14(13(11)8-12)29-20-17(24)16(23)15(22)10(2)28-20/h6-10,14-17,20,22-24H,3-5H2,1-2H3,(H,21,25)(H,26,27)/t9-,10-,14?,15+,16+,17-,20-/m0/s1