2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4R,5S,6R)-3-amino-6-[[(3-aminocyclobutyl)methylamino]methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;5-amino-1-[(1S,2S,3R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-6-(aminomethyl)-3-(3-aminopropylamino)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-4-fluoro-3-hydroxypentan-2-one;2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4R,5S,6R)-3-amino-6-[[(2-amino-3-hydroxypropyl)amino]methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;2-[(1S,2S,3R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-[(2,3-dihydroxypropylamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;2-[(1S,2S,3R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-(ethylaminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone

C131H249FN28O63 — CID 159267252

About 2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4R,5S,6R)-3-amino-6-[[(3-aminocyclobutyl)methylamino]methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;5-amino-1-[(1S,2S,3R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-6-(aminomethyl)-3-(3-aminopropylamino)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-4-fluoro-3-hydroxypentan-2-one;2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4R,5S,6R)-3-amino-6-[[(2-amino-3-hydroxypropyl)amino]methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;2-[(1S,2S,3R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-[(2,3-dihydroxypropylamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;2-[(1S,2S,3R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-(ethylaminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone

2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4R,5S,6R)-3-amino-6-[[(3-aminocyclobutyl)methylamino]methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;5-amino-1-[(1S,2S,3R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-6-(aminomethyl)-3-(3-aminopropylamino)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-4-fluoro-3-hydroxypentan-2-one;2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4R,5S,6R)-3-amino-6-[[(2-amino-3-hydroxypropyl)amino]methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;2-[(1S,2S,3R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-[(2,3-dihydroxypropylamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;2-[(1S,2S,3R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-(ethylaminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone (PubChem CID 159267252) has the molecular formula C131H249FN28O63 and a molecular weight of 3243.56 g/mol. Its IUPAC name is 2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4R,5S,6R)-3-amino-6-[[(3-aminocyclobutyl)methylamino]methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;5-amino-1-[(1S,2S,3R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-6-(aminomethyl)-3-(3-aminopropylamino)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-4-fluoro-3-hydroxypentan-2-one;2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4R,5S,6R)-3-amino-6-[[(2-amino-3-hydroxypropyl)amino]methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;2-[(1S,2S,3R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-[(2,3-dihydroxypropylamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;2-[(1S,2S,3R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-(ethylaminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone.

Molecular Properties

• Compound Name: 2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4R,5S,6R)-3-amino-6-[[(3-aminocyclobutyl)methylamino]methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;5-amino-1-[(1S,2S,3R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-6-(aminomethyl)-3-(3-aminopropylamino)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-4-fluoro-3-hydroxypentan-2-one;2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4R,5S,6R)-3-amino-6-[[(2-amino-3-hydroxypropyl)amino]methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;2-[(1S,2S,3R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-[(2,3-dihydroxypropylamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;2-[(1S,2S,3R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-(ethylaminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone
• PubChem CID: 159267252
• Molecular Formula: C131H249FN28O63
• Molecular Weight: 3243.56 g/mol
• Exact Mass: 3241.71
• IUPAC Name: 2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4R,5S,6R)-3-amino-6-[[(3-aminocyclobutyl)methylamino]methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;5-amino-1-[(1S,2S,3R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-6-(aminomethyl)-3-(3-aminopropylamino)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-4-fluoro-3-hydroxypentan-2-one;2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4R,5S,6R)-3-amino-6-[[(2-amino-3-hydroxypropyl)amino]methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;2-[(1S,2S,3R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-[(2,3-dihydroxypropylamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;2-[(1S,2S,3R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-(ethylaminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone
• SMILES: CCNC[C@H]1O[C@H](OC2[C@@H](N)C[C@@H](CC(=O)C3(O)CC3N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O.NC(CO)CNC[C@H]1O[C@H](OC2[C@H](O)C(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](CC(=O)C3(O)CC3N)C[C@@H]2N)[C@H](N)[C@@H](O)[C@@H]1O.NC1CC(CNC[C@H]2O[C@H](OC3[C@H](O)C(O[C@H]4O[C@H](CO)[C@@H](O)C(N)[C@H]4O)[C@H](CC(=O)C4(O)CC4N)C[C@@H]3N)[C@H](N)[C@@H](O)[C@@H]2O)C1.NC1[C@@H](O)[C@@H](OC2[C@H](CC(=O)C3(O)CC3N)C[C@H](N)C(O[C@H]3O[C@H](CNCC(O)CO)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)O[C@H](CO)[C@H]1O.NCCCN[C@H]1[C@@H](OC2[C@@H](N)C[C@@H](CC(=O)C(O)C(F)CN)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)O[C@H](CN)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C28H52N6O12.C26H51FN6O12.C26H50N6O13.C26H49N5O14.C25H47N5O12/c29-11-1-9(2-11)6-34-7-13-20(38)21(39)18(33)26(43-13)46-25-12(30)3-10(4-16(36)28(42)5-15(28)31)24(23(25)41)45-27-22(40)17(32)19(37)14(8-35)44-27;27-10(6-29)17(36)12(35)5-9-4-11(31)24(22(41)23(9)44-26-20(39)15(32)18(37)14(8-34)43-26)45-25-16(33-3-1-2-28)21(40)19(38)13(7-30)42-25;27-9(6-33)4-32-5-11-18(37)19(38)16(31)24(42-11)45-23-10(28)1-8(2-14(35)26(41)3-13(26)29)22(21(23)40)44-25-20(39)15(30)17(36)12(7-34)43-25;27-10-1-8(2-14(35)26(41)3-13(26)28)22(44-25-20(39)15(29)17(36)12(7-33)43-25)21(40)23(10)45-24-16(30)19(38)18(37)11(42-24)5-31-4-9(34)6-32;1-2-30-6-10-17(34)18(35)15(29)23(39-10)42-22-9(26)3-8(4-13(32)25(38)5-12(25)27)21(20(22)37)41-24-19(36)14(28)16(33)11(7-31)40-24/h9-15,17-27,34-35,37-42H,1-8,29-33H2;9-11,13-26,33-34,36-41H,1-8,28-32H2;8-13,15-25,32-34,36-41H,1-7,27-31H2;8-13,15-25,31-34,36-41H,1-7,27-30H2;8-12,14-24,30-31,33-38H,2-7,26-29H2,1H3/t9?,10-,11?,12-,13+,14+,15?,17?,18+,19+,20+,21+,22+,23+,24?,25?,26+,27+,28?;9-,10?,11-,13+,14+,15-,16+,17?,18+,19+,20+,21+,22+,23-,24?,25+,26+;8-,9?,10-,11+,12+,13?,15-,16+,17+,18+,19+,20+,21+,22?,23?,24+,25+,26?;8-,9?,10-,11+,12+,13?,15?,16+,17+,18+,19+,20+,21+,22?,23?,24+,25+,26?;8-,9-,10+,11+,12?,14-,15+,16+,17+,18+,19+,20+,21-,22?,23+,24+,25?/m00000/s1
• InChIKey: KXGMTBGYRXWFRQ-DEOMHYQISA-N
• XLogP: -38.95
• TPSA: 1697.30 Ų
• H-Bond Donors: 66
• H-Bond Acceptors: 91
• Rotatable Bonds: 64
• Heavy Atoms: 223
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3243.56
LogP ≤ 5	-38.95
H-Bond Donors ≤ 5	66
H-Bond Acceptors ≤ 10	91

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4R,5S,6R)-3-amino-6-[[(3-aminocyclobutyl)methylamino]methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;5-amino-1-[(1S,2S,3R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-6-(aminomethyl)-3-(3-aminopropylamino)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-4-fluoro-3-hydroxypentan-2-one;2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4R,5S,6R)-3-amino-6-[[(2-amino-3-hydroxypropyl)amino]methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;2-[(1S,2S,3R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-[(2,3-dihydroxypropylamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;2-[(1S,2S,3R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-(ethylaminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone?

The IUPAC name of 2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4R,5S,6R)-3-amino-6-[[(3-aminocyclobutyl)methylamino]methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;5-amino-1-[(1S,2S,3R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-6-(aminomethyl)-3-(3-aminopropylamino)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-4-fluoro-3-hydroxypentan-2-one;2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4R,5S,6R)-3-amino-6-[[(2-amino-3-hydroxypropyl)amino]methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;2-[(1S,2S,3R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-[(2,3-dihydroxypropylamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;2-[(1S,2S,3R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-(ethylaminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone (CID 159267252) is 2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4R,5S,6R)-3-amino-6-[[(3-aminocyclobutyl)methylamino]methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;5-amino-1-[(1S,2S,3R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-6-(aminomethyl)-3-(3-aminopropylamino)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-4-fluoro-3-hydroxypentan-2-one;2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4R,5S,6R)-3-amino-6-[[(2-amino-3-hydroxypropyl)amino]methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;2-[(1S,2S,3R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-[(2,3-dihydroxypropylamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;2-[(1S,2S,3R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-(ethylaminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone.

What is the SMILES notation for 2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4R,5S,6R)-3-amino-6-[[(3-aminocyclobutyl)methylamino]methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;5-amino-1-[(1S,2S,3R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-6-(aminomethyl)-3-(3-aminopropylamino)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-4-fluoro-3-hydroxypentan-2-one;2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4R,5S,6R)-3-amino-6-[[(2-amino-3-hydroxypropyl)amino]methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;2-[(1S,2S,3R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-[(2,3-dihydroxypropylamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;2-[(1S,2S,3R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-(ethylaminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone?

The canonical SMILES for 2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4R,5S,6R)-3-amino-6-[[(3-aminocyclobutyl)methylamino]methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;5-amino-1-[(1S,2S,3R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-6-(aminomethyl)-3-(3-aminopropylamino)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-4-fluoro-3-hydroxypentan-2-one;2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4R,5S,6R)-3-amino-6-[[(2-amino-3-hydroxypropyl)amino]methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;2-[(1S,2S,3R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-[(2,3-dihydroxypropylamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;2-[(1S,2S,3R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-(ethylaminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone is CCNC[C@H]1O[C@H](OC2[C@@H](N)C[C@@H](CC(=O)C3(O)CC3N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O.NC(CO)CNC[C@H]1O[C@H](OC2[C@H](O)C(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](CC(=O)C3(O)CC3N)C[C@@H]2N)[C@H](N)[C@@H](O)[C@@H]1O.NC1CC(CNC[C@H]2O[C@H](OC3[C@H](O)C(O[C@H]4O[C@H](CO)[C@@H](O)C(N)[C@H]4O)[C@H](CC(=O)C4(O)CC4N)C[C@@H]3N)[C@H](N)[C@@H](O)[C@@H]2O)C1.NC1[C@@H](O)[C@@H](OC2[C@H](CC(=O)C3(O)CC3N)C[C@H](N)C(O[C@H]3O[C@H](CNCC(O)CO)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)O[C@H](CO)[C@H]1O.NCCCN[C@H]1[C@@H](OC2[C@@H](N)C[C@@H](CC(=O)C(O)C(F)CN)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)O[C@H](CN)[C@@H](O)[C@@H]1O.

What is the InChIKey of 2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4R,5S,6R)-3-amino-6-[[(3-aminocyclobutyl)methylamino]methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;5-amino-1-[(1S,2S,3R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-6-(aminomethyl)-3-(3-aminopropylamino)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-4-fluoro-3-hydroxypentan-2-one;2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4R,5S,6R)-3-amino-6-[[(2-amino-3-hydroxypropyl)amino]methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;2-[(1S,2S,3R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-[(2,3-dihydroxypropylamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;2-[(1S,2S,3R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-(ethylaminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone?

The InChIKey is KXGMTBGYRXWFRQ-DEOMHYQISA-N. The full InChI is InChI=1S/C28H52N6O12.C26H51FN6O12.C26H50N6O13.C26H49N5O14.C25H47N5O12/c29-11-1-9(2-11)6-34-7-13-20(38)21(39)18(33)26(43-13)46-25-12(30)3-10(4-16(36)28(42)5-15(28)31)24(23(25)41)45-27-22(40)17(32)19(37)14(8-35)44-27;27-10(6-29)17(36)12(35)5-9-4-11(31)24(22(41)23(9)44-26-20(39)15(32)18(37)14(8-34)43-26)45-25-16(33-3-1-2-28)21(40)19(38)13(7-30)42-25;27-9(6-33)4-32-5-11-18(37)19(38)16(31)24(42-11)45-23-10(28)1-8(2-14(35)26(41)3-13(26)29)22(21(23)40)44-25-20(39)15(30)17(36)12(7-34)43-25;27-10-1-8(2-14(35)26(41)3-13(26)28)22(44-25-20(39)15(29)17(36)12(7-33)43-25)21(40)23(10)45-24-16(30)19(38)18(37)11(42-24)5-31-4-9(34)6-32;1-2-30-6-10-17(34)18(35)15(29)23(39-10)42-22-9(26)3-8(4-13(32)25(38)5-12(25)27)21(20(22)37)41-24-19(36)14(28)16(33)11(7-31)40-24/h9-15,17-27,34-35,37-42H,1-8,29-33H2;9-11,13-26,33-34,36-41H,1-8,28-32H2;8-13,15-25,32-34,36-41H,1-7,27-31H2;8-13,15-25,31-34,36-41H,1-7,27-30H2;8-12,14-24,30-31,33-38H,2-7,26-29H2,1H3/t9?,10-,11?,12-,13+,14+,15?,17?,18+,19+,20+,21+,22+,23+,24?,25?,26+,27+,28?;9-,10?,11-,13+,14+,15-,16+,17?,18+,19+,20+,21+,22+,23-,24?,25+,26+;8-,9?,10-,11+,12+,13?,15-,16+,17+,18+,19+,20+,21+,22?,23?,24+,25+,26?;8-,9?,10-,11+,12+,13?,15?,16+,17+,18+,19+,20+,21+,22?,23?,24+,25+,26?;8-,9-,10+,11+,12?,14-,15+,16+,17+,18+,19+,20+,21-,22?,23+,24+,25?/m00000/s1.

What are the key properties of 2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4R,5S,6R)-3-amino-6-[[(3-aminocyclobutyl)methylamino]methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;5-amino-1-[(1S,2S,3R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-6-(aminomethyl)-3-(3-aminopropylamino)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-4-fluoro-3-hydroxypentan-2-one;2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4R,5S,6R)-3-amino-6-[[(2-amino-3-hydroxypropyl)amino]methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;2-[(1S,2S,3R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-[(2,3-dihydroxypropylamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;2-[(1S,2S,3R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-(ethylaminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone?

2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4R,5S,6R)-3-amino-6-[[(3-aminocyclobutyl)methylamino]methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;5-amino-1-[(1S,2S,3R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-6-(aminomethyl)-3-(3-aminopropylamino)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-4-fluoro-3-hydroxypentan-2-one;2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4R,5S,6R)-3-amino-6-[[(2-amino-3-hydroxypropyl)amino]methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;2-[(1S,2S,3R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-[(2,3-dihydroxypropylamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;2-[(1S,2S,3R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-(ethylaminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone has a molecular weight of 3243.56 g/mol, XLogP of -38.95, 64 rotatable bonds, 66 hydrogen bond donors, and 91 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4R,5S,6R)-3-amino-6-[[(3-aminocyclobutyl)methylamino]methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;5-amino-1-[(1S,2S,3R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-6-(aminomethyl)-3-(3-aminopropylamino)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-4-fluoro-3-hydroxypentan-2-one;2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4R,5S,6R)-3-amino-6-[[(2-amino-3-hydroxypropyl)amino]methyl]-4,5-dihydroxyoxan-2-yl]oxy-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;2-[(1S,2S,3R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-[(2,3-dihydroxypropylamino)methyl]-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone;2-[(1S,2S,3R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4R,5S,6R)-3-amino-6-(ethylaminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-1-(2-amino-1-hydroxycyclopropyl)ethanone is sourced from PubChem (CID 159267252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).