(2S)-2-azanyl-3-[4-[3-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]propyl]phenyl]propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[4-[3-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]propyl]phenyl]propanoic acid Openeye Name: (2S)-2-amino-3-[4-[3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]propyl]phenyl]propanoic acid CAS Name: (2S)-2-amino-3-[4-[3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]propyl]phenyl]propanoic acid IUPAC Name: (2S)-2-amino-3-[4-[3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]propyl]phenyl]propanoic acid Traditional Name: (2S)-2-amino-3-[4-[3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]propyl]phenyl]propionic acid Formula: C18H27NO6 MolecularWeight: 353.41008

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)CCCC2=CC=C(C=C2)CC(C(=O)O)N)O)O)O

Isomeric SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CCCC2=CC=C(C=C2)C[C@@H](C(=O)O)N)O)O)O

InChI

InChI=1S/C18H27NO6/c1-10-15(20)17(22)16(21)14(25-10)4-2-3-11-5-7-12(8-6-11)9-13(19)18(23)24/h5-8,10,13-17,20-22H,2-4,9,19H2,1H3,(H,23,24)/t10-,13-,14-,15+,16+,17+/m0/s1