ethyl (2S)-2-[[3-[2-[(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]phenyl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: ethyl (2S)-2-[[3-[2-[(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]phenyl]carbonylamino]-3-phenyl-propanoate Openeye Name: ethyl (2S)-3-phenyl-2-[[3-[2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]benzoyl]amino]propanoate CAS Name: (2S)-2-[[oxo-[3-[2-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]phenyl]methyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-3-phenyl-2-[[3-[2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzoyl]amino]propanoate Traditional Name: (2S)-3-phenyl-2-[[3-[2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyphenyl]benzoyl]amino]propionic acid ethyl ester Formula: C30H33NO9 MolecularWeight: 551.58432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=CC(=C2)C3=CC=CC=C3OC4C(C(C(C(O4)CO)O)O)O

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=CC=CC(=C2)C3=CC=CC=C3O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

InChI

InChI=1S/C30H33NO9/c1-2-38-29(37)22(15-18-9-4-3-5-10-18)31-28(36)20-12-8-11-19(16-20)21-13-6-7-14-23(21)39-30-27(35)26(34)25(33)24(17-32)40-30/h3-14,16,22,24-27,30,32-35H,2,15,17H2,1H3,(H,31,36)/t22-,24+,25+,26-,27-,30-/m0/s1