N-[3-[(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxypropyl]-2-[2-[3-[3-[3-[2-[2-[3-[(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxypropylamino]-2-oxidanylidene-ethoxy]ethanoylamino]prop-1-ynyl]phenyl]prop-2-ynylamino]-2-oxidanylidene-ethoxy]ethanamide

Systemtic Name: N-[3-[(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxypropyl]-2-[2-[3-[3-[3-[2-[2-[3-[(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxypropylamino]-2-oxidanylidene-ethoxy]ethanoylamino]prop-1-ynyl]phenyl]prop-2-ynylamino]-2-oxidanylidene-ethoxy]ethanamide Openeye Name: 2-[2-oxo-2-[3-[3-[3-[[2-[2-oxo-2-[3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxypropylamino]ethoxy]acetyl]amino]prop-1-ynyl]phenyl]prop-2-ynylamino]ethoxy]-N-[3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxypropyl]acetamide CAS Name: 2-[2-oxo-2-[3-[3-[3-[[1-oxo-2-[2-oxo-2-[3-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]propylamino]ethoxy]ethyl]amino]prop-1-ynyl]phenyl]prop-2-ynylamino]ethoxy]-N-[3-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]propyl]acetamide IUPAC Name: 2-[2-oxo-2-[3-[3-[3-[[2-[2-oxo-2-[3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropylamino]ethoxy]acetyl]amino]prop-1-ynyl]phenyl]prop-2-ynylamino]ethoxy]-N-[3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]acetamide Traditional Name: 2-[2-keto-2-[3-[3-[3-[[2-[2-keto-2-[3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxypropylamino]ethoxy]acetyl]amino]prop-1-ynyl]phenyl]prop-2-ynylamino]ethoxy]-N-[3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxypropyl]acetamide Formula: C38H54N4O18 MolecularWeight: 854.85136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C#CCNC(=O)COCC(=O)NCCCOC2C(C(C(C(O2)CO)O)O)O)C#CCNC(=O)COCC(=O)NCCCOC3C(C(C(C(O3)CO)O)O)O

Isomeric SMILES

C1=CC(=CC(=C1)C#CCNC(=O)COCC(=O)NCCCO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C#CCNC(=O)COCC(=O)NCCCO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

InChI

InChI=1S/C38H54N4O18/c43-17-25-31(49)33(51)35(53)37(59-25)57-14-4-12-41-29(47)21-55-19-27(45)39-10-2-8-23-6-1-7-24(16-23)9-3-11-40-28(46)20-56-22-30(48)42-13-5-15-58-38-36(54)34(52)32(50)26(18-44)60-38/h1,6-7,16,25-26,31-38,43-44,49-54H,4-5,10-15,17-22H2,(H,39,45)(H,40,46)(H,41,47)(H,42,48)/t25-,26-,31-,32-,33+,34+,35+,36+,37+,38+/m1/s1