N,N'-bis[2-[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxyethyl]-4-[3-[2-[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxyethylamino]-3-oxidanylidene-propyl]-4-nitro-heptanediamide

Systemtic Name: N,N'-bis[2-[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxyethyl]-4-[3-[2-[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxyethylamino]-3-oxidanylidene-propyl]-4-nitro-heptanediamide Openeye Name: N,N'-bis[2-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxyethyl]-4-[3-[2-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxyethylamino]-3-oxo-propyl]-4-nitro-heptanediamide CAS Name: N,N'-bis[2-[[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]ethyl]-4-[3-[2-[[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]ethylamino]-3-oxopropyl]-4-nitroheptanediamide IUPAC Name: N,N'-bis[2-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethyl]-4-[3-[2-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethylamino]-3-oxopropyl]-4-nitroheptanediamide Traditional Name: N,N'-bis[2-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-methylol-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxyethyl]-4-[3-[2-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-methylol-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxyethylamino]-3-keto-propyl]-4-nitro-pimelamide Formula: C52H90N4O38 MolecularWeight: 1379.275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CC(CCC(=O)NCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O)(CCC(=O)NCCOC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O)[N+](=O)[O-])C(=O)NCCOC5C(C(C(C(O5)CO)OC6C(C(C(C(O6)CO)O)O)O)O)O

Isomeric SMILES

C(CC(CCC(=O)NCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)(CCC(=O)NCCO[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O)[N+](=O)[O-])C(=O)NCCO[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)O

InChI

InChI=1S/C52H90N4O38/c57-13-19-28(66)31(69)37(75)49(86-19)92-43-22(16-60)89-46(40(78)34(43)72)83-10-7-53-25(63)1-4-52(56(81)82,5-2-26(64)54-8-11-84-47-41(79)35(73)44(23(17-61)90-47)93-50-38(76)32(70)29(67)20(14-58)87-50)6-3-27(65)55-9-12-85-48-42(80)36(74)45(24(18-62)91-48)94-51-39(77)33(71)30(68)21(15-59)88-51/h19-24,28-51,57-62,66-80H,1-18H2,(H,53,63)(H,54,64)(H,55,65)/t19-,20-,21-,22-,23-,24-,28+,29+,30+,31+,32+,33+,34-,35-,36-,37-,38-,39-,40-,41-,42-,43+,44+,45+,46-,47-,48-,49-,50-,51-/m1/s1