N-[2-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethyl]-4-[10,15,20-tris[4-[2-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethylcarbamoyl]phenyl]-21,24-dihydroporphyrin-5-yl]benzamide

Systemtic Name: N-[2-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethyl]-4-[10,15,20-tris[4-[2-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethylcarbamoyl]phenyl]-21,24-dihydroporphyrin-5-yl]benzamide Openeye Name: N-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyethyl]-4-[10,15,20-tris[4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyethylcarbamoyl]phenyl]-21,24-dihydroporphyrin-5-yl]benzamide CAS Name: N-[2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]ethyl]-4-[10,15,20-tris[4-[oxo-[2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]ethylamino]methyl]phenyl]-21,24-dihydroporphyrin-5-yl]benzamide IUPAC Name: N-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-4-[10,15,20-tris[4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylcarbamoyl]phenyl]-21,24-dihydroporphyrin-5-yl]benzamide Traditional Name: N-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyethyl]-4-[10,15,20-tris[4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyethylcarbamoyl]phenyl]-21,24-dihydroporphin-5-yl]benzamide Formula: C80H90N8O28 MolecularWeight: 1611.6074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C(=O)NCCOC8C(C(C(C(O8)CO)O)O)O)C9=CC=C(C=C9)C(=O)NCCOC1C(C(C(C(O1)CO)O)O)O)C1=CC=C(C=C1)C(=O)NCCOC1C(C(C(C(O1)CO)O)O)O)N3)C(=O)NCCOC1C(C(C(C(O1)CO)O)O)O

Isomeric SMILES

C1=CC(=CC=C1C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C(=O)NCCO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C9=CC=C(C=C9)C(=O)NCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C1=CC=C(C=C1)C(=O)NCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)N3)C(=O)NCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

InChI

InChI=1S/C80H90N8O28/c89-33-53-61(93)65(97)69(101)77(113-53)109-29-25-81-73(105)41-9-1-37(2-10-41)57-45-17-19-47(85-45)58(38-3-11-42(12-4-38)74(106)82-26-30-110-78-70(102)66(98)62(94)54(34-90)114-78)49-21-23-51(87-49)60(40-7-15-44(16-8-40)76(108)84-28-32-112-80-72(104)68(100)64(96)56(36-92)116-80)52-24-22-50(88-52)59(48-20-18-46(57)86-48)39-5-13-43(14-6-39)75(107)83-27-31-111-79-71(103)67(99)63(95)55(35-91)115-79/h1-24,53-56,61-72,77-80,85-86,89-104H,25-36H2,(H,81,105)(H,82,106)(H,83,107)(H,84,108)/t53-,54-,55-,56-,61-,62-,63-,64-,65+,66+,67+,68+,69-,70-,71-,72-,77-,78-,79-,80-/m1/s1