(2S,3S,4S,5R,6S)-3,4,5-tris(oxidanyl)-6-[4-[2-oxidanyl-3-(propylamino)propoxy]-3-(3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid

Systemtic Name: (2S,3S,4S,5R,6S)-3,4,5-tris(oxidanyl)-6-[4-[2-oxidanyl-3-(propylamino)propoxy]-3-(3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid Openeye Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[2-hydroxy-3-(propylamino)propoxy]-3-(3-phenylpropanoyl)phenoxy]tetrahydropyran-2-carboxylic acid CAS Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[2-hydroxy-3-(propylamino)propoxy]-3-(1-oxo-3-phenylpropyl)phenoxy]-2-oxanecarboxylic acid IUPAC Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[2-hydroxy-3-(propylamino)propoxy]-3-(3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid Traditional Name: (2S,3S,4S,5R,6S)-6-[3-hydrocinnamoyl-4-[2-hydroxy-3-(propylamino)propoxy]phenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid Formula: C27H35NO10 MolecularWeight: 533.5675

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCC(COC1=C(C=C(C=C1)OC2C(C(C(C(O2)C(=O)O)O)O)O)C(=O)CCC3=CC=CC=C3)O

Isomeric SMILES

CCCNCC(COC1=C(C=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C(=O)CCC3=CC=CC=C3)O

InChI

InChI=1S/C27H35NO10/c1-2-12-28-14-17(29)15-36-21-11-9-18(13-19(21)20(30)10-8-16-6-4-3-5-7-16)37-27-24(33)22(31)23(32)25(38-27)26(34)35/h3-7,9,11,13,17,22-25,27-29,31-33H,2,8,10,12,14-15H2,1H3,(H,34,35)/t17?,22-,23-,24+,25-,27+/m0/s1