2-[[(2S,4S,5R)-3-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[3,5-diamino-2-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methylsulfanylmethylsulfanyl]-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide;N-[(1S,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(4-nitrophenyl)propan-2-yl]propanamide;tert-butyl N-[2-[(2S,4S,5R)-2-[[2-[[(1R,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(4-nitrophenyl)propan-2-yl]amino]-2-oxoethyl]sulfanylmethylsulfanylmethyl]-5-[2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-6-hydroxy-3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]oxy-4-hydroxyoxolan-3-yl]oxy-4,5-dihydroxy-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-3-yl]carbamate;tert-butyl N-[5-bromo-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-3-[(2R,3S,5S)-4-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-3-hydroxy-5-(sulfanylmethylsulfanylmethyl)oxolan-2-yl]oxy-4-hydroxycyclohexyl]carbamate

C185H326BrN23O73S6Si4 — CID 159050244

IUPAC2-[[(2S,4S,5R)-3-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[3,5-diamino-2-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methylsulfanylmethylsulfanyl]-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide;N-[(1S,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(4-nitrophenyl)propan-2-yl]propanamide;tert-butyl N-[2-[(2S,4S,5R)-2-[[2-[[(1R,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(4-nitrophenyl)propan-2-yl]amino]-2-oxoethyl]sulfanylmethylsulfanylmethyl]-5-[2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-6-hydroxy-3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]oxy-4-hydroxyoxolan-3-yl]oxy-4,5-dihydroxy-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-3-yl]carbamate;tert-butyl N-[5-bromo-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-3-[(2R,3S,5S)-4-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-3-hydroxy-5-(sulfanylmethylsulfanylmethyl)oxolan-2-yl]oxy-4-hydroxycyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1OC(OC2C(NC(=O)OC(C)(C)C)CC(Br)C(O)C2O[C@@H]2O[C@H](CSCS)C(OC3OC(CNC(=O)OC(C)(C)C)C(O)C(O)C3NC(=O)OC(C)(C)C)[C@@H]2O)C(NC(=O)OC(C)(C)C)C(O)C1O.CC(C)(C)OC(=O)NCC1OC(OC2C(NC(=O)OC(C)(C)C)CC(NC(=O)OC(C)(C)C)C(O)C2O[C@@H]2O[C@H](CSCSCC(=O)N[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)c3ccc([N+](=O)[O-])cc3)C(OC3OC(CNC(=O)OC(C)(C)C)C(O)C(O)C3NC(=O)OC(C)(C)C)[C@@H]2O)C(NC(=O)OC(C)(C)C)C(O)C1O.CCC(=O)N[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc([N+](=O)[O-])cc1.NCC1OC(OC2C(N)CC(N)C(O)C2O[C@@H]2O[C@H](CSCSCC(=O)N[C@H](CO)[C@H](O)c3ccc([N+](=O)[O-])cc3)C(OC3OC(CN)C(O)C(O)C3N)[C@@H]2O)C(N)C(O)C1O
InChIInChI=1S/C77H136N8O29S2Si2.C49H86BrN5O22S2.C35H60N8O17S2.C24H44N2O5Si2/c1-70(2,3)108-64(93)78-34-45-52(88)54(90)49(83-68(97)112-74(13,14)15)61(102-45)105-58-43(82-67(96)111-73(10,11)12)33-42(81-66(95)110-72(7,8)9)51(87)60(58)107-63-56(92)59(106-62-50(84-69(98)113-75(16,17)18)55(91)53(89)46(103-62)35-79-65(94)109-71(4,5)6)47(104-63)37-115-39-116-38-48(86)80-44(36-101-117(25,26)76(19,20)21)57(114-118(27,28)77(22,23)24)40-29-31-41(32-30-40)85(99)100;1-45(2,3)73-40(62)51-17-23-29(57)31(59)26(54-43(65)76-48(10,11)12)37(67-23)70-34-22(53-42(64)75-47(7,8)9)16-21(50)28(56)36(34)72-39-33(61)35(25(69-39)19-79-20-78)71-38-27(55-44(66)77-49(13,14)15)32(60)30(58)24(68-38)18-52-41(63)74-46(4,5)6;36-6-17-25(48)27(50)21(40)33(55-17)58-30-15(39)5-14(38)24(47)32(30)60-35-29(52)31(59-34-22(41)28(51)26(49)18(7-37)56-34)19(57-35)9-61-11-62-10-20(45)42-16(8-44)23(46)12-1-3-13(4-2-12)43(53)54;1-12-21(27)25-20(17-30-32(8,9)23(2,3)4)22(31-33(10,11)24(5,6)7)18-13-15-19(16-14-18)26(28)29/h29-32,42-47,49-63,87-92H,33-39H2,1-28H3,(H,78,93)(H,79,94)(H,80,86)(H,81,95)(H,82,96)(H,83,97)(H,84,98);21-39,56-61,78H,16-20H2,1-15H3,(H,51,62)(H,52,63)(H,53,64)(H,54,65)(H,55,66);1-4,14-19,21-35,44,46-52H,5-11,36-41H2,(H,42,45);13-16,20,22H,12,17H2,1-11H3,(H,25,27)/t42?,43?,44-,45?,46?,47-,49?,50?,51?,52?,53?,54?,55?,56+,57-,58?,59?,60?,61?,62?,63+;21?,22?,23?,24?,25-,26?,27?,28?,29?,30?,31?,32?,33+,34?,35?,36?,37?,38?,39+;14?,15?,16-,17?,18?,19-,21?,22?,23-,24?,25?,26?,27?,28?,29+,30?,31?,32?,33?,34?,35+;20-,22+/m1111/s1
InChIKeyJXECXKVAPUTBTN-RZQOVLJTSA-N
MW4425.38 g/mol
LogP9.34
Rot. Bonds74

About 2-[[(2S,4S,5R)-3-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[3,5-diamino-2-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methylsulfanylmethylsulfanyl]-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide;N-[(1S,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(4-nitrophenyl)propan-2-yl]propanamide;tert-butyl N-[2-[(2S,4S,5R)-2-[[2-[[(1R,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(4-nitrophenyl)propan-2-yl]amino]-2-oxoethyl]sulfanylmethylsulfanylmethyl]-5-[2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-6-hydroxy-3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]oxy-4-hydroxyoxolan-3-yl]oxy-4,5-dihydroxy-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-3-yl]carbamate;tert-butyl N-[5-bromo-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-3-[(2R,3S,5S)-4-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-3-hydroxy-5-(sulfanylmethylsulfanylmethyl)oxolan-2-yl]oxy-4-hydroxycyclohexyl]carbamate

2-[[(2S,4S,5R)-3-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[3,5-diamino-2-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methylsulfanylmethylsulfanyl]-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide;N-[(1S,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(4-nitrophenyl)propan-2-yl]propanamide;tert-butyl N-[2-[(2S,4S,5R)-2-[[2-[[(1R,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(4-nitrophenyl)propan-2-yl]amino]-2-oxoethyl]sulfanylmethylsulfanylmethyl]-5-[2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-6-hydroxy-3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]oxy-4-hydroxyoxolan-3-yl]oxy-4,5-dihydroxy-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-3-yl]carbamate;tert-butyl N-[5-bromo-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-3-[(2R,3S,5S)-4-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-3-hydroxy-5-(sulfanylmethylsulfanylmethyl)oxolan-2-yl]oxy-4-hydroxycyclohexyl]carbamate (PubChem CID 159050244) has the molecular formula C185H326BrN23O73S6Si4 and a molecular weight of 4425.38 g/mol. Its IUPAC name is 2-[[(2S,4S,5R)-3-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[3,5-diamino-2-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methylsulfanylmethylsulfanyl]-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide;N-[(1S,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(4-nitrophenyl)propan-2-yl]propanamide;tert-butyl N-[2-[(2S,4S,5R)-2-[[2-[[(1R,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(4-nitrophenyl)propan-2-yl]amino]-2-oxoethyl]sulfanylmethylsulfanylmethyl]-5-[2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-6-hydroxy-3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]oxy-4-hydroxyoxolan-3-yl]oxy-4,5-dihydroxy-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-3-yl]carbamate;tert-butyl N-[5-bromo-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-3-[(2R,3S,5S)-4-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-3-hydroxy-5-(sulfanylmethylsulfanylmethyl)oxolan-2-yl]oxy-4-hydroxycyclohexyl]carbamate.

Molecular Properties

Compound Name2-[[(2S,4S,5R)-3-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[3,5-diamino-2-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methylsulfanylmethylsulfanyl]-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide;N-[(1S,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(4-nitrophenyl)propan-2-yl]propanamide;tert-butyl N-[2-[(2S,4S,5R)-2-[[2-[[(1R,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(4-nitrophenyl)propan-2-yl]amino]-2-oxoethyl]sulfanylmethylsulfanylmethyl]-5-[2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-6-hydroxy-3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]oxy-4-hydroxyoxolan-3-yl]oxy-4,5-dihydroxy-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-3-yl]carbamate;tert-butyl N-[5-bromo-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-3-[(2R,3S,5S)-4-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-3-hydroxy-5-(sulfanylmethylsulfanylmethyl)oxolan-2-yl]oxy-4-hydroxycyclohexyl]carbamate
PubChem CID159050244
Molecular FormulaC185H326BrN23O73S6Si4
Molecular Weight4425.38 g/mol
Exact Mass4420.91
IUPAC Name2-[[(2S,4S,5R)-3-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[3,5-diamino-2-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methylsulfanylmethylsulfanyl]-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide;N-[(1S,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(4-nitrophenyl)propan-2-yl]propanamide;tert-butyl N-[2-[(2S,4S,5R)-2-[[2-[[(1R,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(4-nitrophenyl)propan-2-yl]amino]-2-oxoethyl]sulfanylmethylsulfanylmethyl]-5-[2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-6-hydroxy-3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]oxy-4-hydroxyoxolan-3-yl]oxy-4,5-dihydroxy-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-3-yl]carbamate;tert-butyl N-[5-bromo-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-3-[(2R,3S,5S)-4-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-3-hydroxy-5-(sulfanylmethylsulfanylmethyl)oxolan-2-yl]oxy-4-hydroxycyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1OC(OC2C(NC(=O)OC(C)(C)C)CC(Br)C(O)C2O[C@@H]2O[C@H](CSCS)C(OC3OC(CNC(=O)OC(C)(C)C)C(O)C(O)C3NC(=O)OC(C)(C)C)[C@@H]2O)C(NC(=O)OC(C)(C)C)C(O)C1O.CC(C)(C)OC(=O)NCC1OC(OC2C(NC(=O)OC(C)(C)C)CC(NC(=O)OC(C)(C)C)C(O)C2O[C@@H]2O[C@H](CSCSCC(=O)N[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)c3ccc([N+](=O)[O-])cc3)C(OC3OC(CNC(=O)OC(C)(C)C)C(O)C(O)C3NC(=O)OC(C)(C)C)[C@@H]2O)C(NC(=O)OC(C)(C)C)C(O)C1O.CCC(=O)N[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc([N+](=O)[O-])cc1.NCC1OC(OC2C(N)CC(N)C(O)C2O[C@@H]2O[C@H](CSCSCC(=O)N[C@H](CO)[C@H](O)c3ccc([N+](=O)[O-])cc3)C(OC3OC(CN)C(O)C(O)C3N)[C@@H]2O)C(N)C(O)C1O
InChIInChI=1S/C77H136N8O29S2Si2.C49H86BrN5O22S2.C35H60N8O17S2.C24H44N2O5Si2/c1-70(2,3)108-64(93)78-34-45-52(88)54(90)49(83-68(97)112-74(13,14)15)61(102-45)105-58-43(82-67(96)111-73(10,11)12)33-42(81-66(95)110-72(7,8)9)51(87)60(58)107-63-56(92)59(106-62-50(84-69(98)113-75(16,17)18)55(91)53(89)46(103-62)35-79-65(94)109-71(4,5)6)47(104-63)37-115-39-116-38-48(86)80-44(36-101-117(25,26)76(19,20)21)57(114-118(27,28)77(22,23)24)40-29-31-41(32-30-40)85(99)100;1-45(2,3)73-40(62)51-17-23-29(57)31(59)26(54-43(65)76-48(10,11)12)37(67-23)70-34-22(53-42(64)75-47(7,8)9)16-21(50)28(56)36(34)72-39-33(61)35(25(69-39)19-79-20-78)71-38-27(55-44(66)77-49(13,14)15)32(60)30(58)24(68-38)18-52-41(63)74-46(4,5)6;36-6-17-25(48)27(50)21(40)33(55-17)58-30-15(39)5-14(38)24(47)32(30)60-35-29(52)31(59-34-22(41)28(51)26(49)18(7-37)56-34)19(57-35)9-61-11-62-10-20(45)42-16(8-44)23(46)12-1-3-13(4-2-12)43(53)54;1-12-21(27)25-20(17-30-32(8,9)23(2,3)4)22(31-33(10,11)24(5,6)7)18-13-15-19(16-14-18)26(28)29/h29-32,42-47,49-63,87-92H,33-39H2,1-28H3,(H,78,93)(H,79,94)(H,80,86)(H,81,95)(H,82,96)(H,83,97)(H,84,98);21-39,56-61,78H,16-20H2,1-15H3,(H,51,62)(H,52,63)(H,53,64)(H,54,65)(H,55,66);1-4,14-19,21-35,44,46-52H,5-11,36-41H2,(H,42,45);13-16,20,22H,12,17H2,1-11H3,(H,25,27)/t42?,43?,44-,45?,46?,47-,49?,50?,51?,52?,53?,54?,55?,56+,57-,58?,59?,60?,61?,62?,63+;21?,22?,23?,24?,25-,26?,27?,28?,29?,30?,31?,32?,33+,34?,35?,36?,37?,38?,39+;14?,15?,16-,17?,18?,19-,21?,22?,23-,24?,25?,26?,27?,28?,29+,30?,31?,32?,33?,34?,35+;20-,22+/m1111/s1
InChIKeyJXECXKVAPUTBTN-RZQOVLJTSA-N
XLogP9.34
TPSA1402.13 Ų
H-Bond Donors41
H-Bond Acceptors85
Rotatable Bonds74
Heavy Atoms292
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004425.38
LogP ≤ 59.34
H-Bond Donors ≤ 541
H-Bond Acceptors ≤ 1085

Analyze 2-[[(2S,4S,5R)-3-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[3,5-diamino-2-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methylsulfanylmethylsulfanyl]-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide;N-[(1S,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(4-nitrophenyl)propan-2-yl]propanamide;tert-butyl N-[2-[(2S,4S,5R)-2-[[2-[[(1R,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(4-nitrophenyl)propan-2-yl]amino]-2-oxoethyl]sulfanylmethylsulfanylmethyl]-5-[2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-6-hydroxy-3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]oxy-4-hydroxyoxolan-3-yl]oxy-4,5-dihydroxy-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-3-yl]carbamate;tert-butyl N-[5-bromo-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-3-[(2R,3S,5S)-4-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-3-hydroxy-5-(sulfanylmethylsulfanylmethyl)oxolan-2-yl]oxy-4-hydroxycyclohexyl]carbamate with MolForge

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Related Compounds

2-[3-[(2R,3S,4R,5R)-3-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[(1R,2R,3S,5S,6R)-3,5-diamino-2-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]sulfanylpropylsulfanyl]-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide
CID 10153810
tert-butyl N-[(2S,3S,4S,5R,6R)-2-[2-[2-[2-[2-[2-[[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino]-2-oxoethyl]sulfanylethoxy]ethyldisulfanyl]ethoxy]ethylsulfanylmethyl]-3,5-dihydroxy-6-[(1S,2S,3R,4S,6R)-2-hydroxy-3-[(2R,3R,5S,6R)-5-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]oxyoxan-4-yl]carbamate
CID 71746617
5-amino-2-(aminomethyl)-6-[4,6-diamino-2-[4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-(azidomethyl)-3-hydroxyoxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol;[2-(2-aminoethyl)-6-[2-(azidomethyl)-5-[2-[4,5-bis(hydroxymethyl)-3-(methylamino)-6-(methylaminomethyl)oxan-2-yl]oxy-6-methoxy-3,5-bis(methylamino)cyclohexyl]oxy-4-methoxyoxolan-3-yl]oxy-4-(hydroxymethyl)-5-(methylamino)oxan-3-yl]methanol;tert-butyl N-[3-[5-(azidomethyl)-4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxyoxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[3-[4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[3-[4-[4,5-dihydroxy-6-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-3-hydroxy-5-(tritiomethyl)oxolan-2-yl]oxy-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;sulfinylphosphane
CID 158752627
tert-butyl N-[(1S,2R,3R,4S,5R)-2-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-3-[(2S,3R,4S,5R)-5-[(1,3-dioxoisoindol-2-yl)methyl]-3-hydroxy-4-[[(1R,2S,4R,5R,6S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3,7-dioxabicyclo[4.1.0]heptan-4-yl]oxy]oxolan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 16752420
tert-butyl N-[(2R,3R,4R,5S,6S)-4,5-dihydroxy-2-[(2R,3S,4R,5S)-4-hydroxy-5-[(1R,2S,3R,5S,6R)-2-hydroxy-3-[[(2S)-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-6-[[(2R,3R,6S)-6-[[methyl-(2-nitrophenyl)sulfonylamino]methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3,6-dihydro-2H-pyran-2-yl]oxy]-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]oxy-2-(hydroxymethyl)oxolan-3-yl]oxy-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-3-yl]carbamate
CID 89082404
tert-butyl N-[(2R,4R,5S)-6-(aminomethyl)-2-[(1R,2R,4R)-2,3-dihydroxy-4,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]oxy-4,5-dihydroxyoxan-3-yl]carbamate
CID 140529248
tert-butyl N-[6-(aminomethyl)-4,5-dihydroxy-2-[4-hydroxy-5-[2-hydroxy-6-[[6-[(2-hydroxypentylamino)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3,6-dihydro-2H-pyran-2-yl]oxy]-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]oxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxan-3-yl]carbamate
CID 91594607
N-[[(3S,5S,6R)-5-amino-6-[(2R,4S,5S)-5-[(2R,5R,6R)-3,5-diamino-2-[(2R,4R,5S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-3,4-dihydroxyoxan-2-yl]methyl]acetamide
CID 90362349
tert-butyl N-[(2S,4R,5R,6R)-2-[(2S,3S,4R,5R)-2-[6-[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-2-oxoethyl]sulfanylhexylsulfanylmethyl]-5-[(1R,2R,3S,5R,6S)-2-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-6-hydroxy-3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]oxy-4-hydroxyoxolan-3-yl]oxy-4,5-dihydroxy-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-3-yl]carbamate
CID 11263450
benzyl N-[(1S,2R,3R,4S,5R)-2-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(phenylmethoxycarbonylamino)-6-(phenylmethoxycarbonylaminomethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-4,5-dihydroxy-3-(phenylmethoxycarbonylamino)-6-(phenylmethoxycarbonylaminomethyl)oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 73356504
tert-butyl N-[(1S,2R,3R,4S,5R)-2-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-3-[(2R,3R,4S,5S)-4-[(2R,3R,4R,5S,6S)-4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-3-hydroxy-5-[2-[5-[4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]pentanoylamino]ethylsulfanylmethyl]oxolan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate bromide
CID 72725397
tert-butyl N-[6-[[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino]-6-oxohexyl]carbamate
CID 154444535

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S,4S,5R)-3-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[3,5-diamino-2-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methylsulfanylmethylsulfanyl]-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide;N-[(1S,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(4-nitrophenyl)propan-2-yl]propanamide;tert-butyl N-[2-[(2S,4S,5R)-2-[[2-[[(1R,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(4-nitrophenyl)propan-2-yl]amino]-2-oxoethyl]sulfanylmethylsulfanylmethyl]-5-[2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-6-hydroxy-3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]oxy-4-hydroxyoxolan-3-yl]oxy-4,5-dihydroxy-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-3-yl]carbamate;tert-butyl N-[5-bromo-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-3-[(2R,3S,5S)-4-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-3-hydroxy-5-(sulfanylmethylsulfanylmethyl)oxolan-2-yl]oxy-4-hydroxycyclohexyl]carbamate?
The IUPAC name of 2-[[(2S,4S,5R)-3-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[3,5-diamino-2-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methylsulfanylmethylsulfanyl]-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide;N-[(1S,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(4-nitrophenyl)propan-2-yl]propanamide;tert-butyl N-[2-[(2S,4S,5R)-2-[[2-[[(1R,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(4-nitrophenyl)propan-2-yl]amino]-2-oxoethyl]sulfanylmethylsulfanylmethyl]-5-[2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-6-hydroxy-3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]oxy-4-hydroxyoxolan-3-yl]oxy-4,5-dihydroxy-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-3-yl]carbamate;tert-butyl N-[5-bromo-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-3-[(2R,3S,5S)-4-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-3-hydroxy-5-(sulfanylmethylsulfanylmethyl)oxolan-2-yl]oxy-4-hydroxycyclohexyl]carbamate (CID 159050244) is 2-[[(2S,4S,5R)-3-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[3,5-diamino-2-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methylsulfanylmethylsulfanyl]-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide;N-[(1S,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(4-nitrophenyl)propan-2-yl]propanamide;tert-butyl N-[2-[(2S,4S,5R)-2-[[2-[[(1R,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(4-nitrophenyl)propan-2-yl]amino]-2-oxoethyl]sulfanylmethylsulfanylmethyl]-5-[2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-6-hydroxy-3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]oxy-4-hydroxyoxolan-3-yl]oxy-4,5-dihydroxy-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-3-yl]carbamate;tert-butyl N-[5-bromo-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-3-[(2R,3S,5S)-4-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-3-hydroxy-5-(sulfanylmethylsulfanylmethyl)oxolan-2-yl]oxy-4-hydroxycyclohexyl]carbamate.
What is the SMILES notation for 2-[[(2S,4S,5R)-3-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[3,5-diamino-2-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methylsulfanylmethylsulfanyl]-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide;N-[(1S,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(4-nitrophenyl)propan-2-yl]propanamide;tert-butyl N-[2-[(2S,4S,5R)-2-[[2-[[(1R,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(4-nitrophenyl)propan-2-yl]amino]-2-oxoethyl]sulfanylmethylsulfanylmethyl]-5-[2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-6-hydroxy-3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]oxy-4-hydroxyoxolan-3-yl]oxy-4,5-dihydroxy-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-3-yl]carbamate;tert-butyl N-[5-bromo-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-3-[(2R,3S,5S)-4-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-3-hydroxy-5-(sulfanylmethylsulfanylmethyl)oxolan-2-yl]oxy-4-hydroxycyclohexyl]carbamate?
The canonical SMILES for 2-[[(2S,4S,5R)-3-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[3,5-diamino-2-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methylsulfanylmethylsulfanyl]-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide;N-[(1S,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(4-nitrophenyl)propan-2-yl]propanamide;tert-butyl N-[2-[(2S,4S,5R)-2-[[2-[[(1R,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(4-nitrophenyl)propan-2-yl]amino]-2-oxoethyl]sulfanylmethylsulfanylmethyl]-5-[2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-6-hydroxy-3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]oxy-4-hydroxyoxolan-3-yl]oxy-4,5-dihydroxy-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-3-yl]carbamate;tert-butyl N-[5-bromo-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-3-[(2R,3S,5S)-4-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-3-hydroxy-5-(sulfanylmethylsulfanylmethyl)oxolan-2-yl]oxy-4-hydroxycyclohexyl]carbamate is CC(C)(C)OC(=O)NCC1OC(OC2C(NC(=O)OC(C)(C)C)CC(Br)C(O)C2O[C@@H]2O[C@H](CSCS)C(OC3OC(CNC(=O)OC(C)(C)C)C(O)C(O)C3NC(=O)OC(C)(C)C)[C@@H]2O)C(NC(=O)OC(C)(C)C)C(O)C1O.CC(C)(C)OC(=O)NCC1OC(OC2C(NC(=O)OC(C)(C)C)CC(NC(=O)OC(C)(C)C)C(O)C2O[C@@H]2O[C@H](CSCSCC(=O)N[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)c3ccc([N+](=O)[O-])cc3)C(OC3OC(CNC(=O)OC(C)(C)C)C(O)C(O)C3NC(=O)OC(C)(C)C)[C@@H]2O)C(NC(=O)OC(C)(C)C)C(O)C1O.CCC(=O)N[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc([N+](=O)[O-])cc1.NCC1OC(OC2C(N)CC(N)C(O)C2O[C@@H]2O[C@H](CSCSCC(=O)N[C@H](CO)[C@H](O)c3ccc([N+](=O)[O-])cc3)C(OC3OC(CN)C(O)C(O)C3N)[C@@H]2O)C(N)C(O)C1O.
What is the InChIKey of 2-[[(2S,4S,5R)-3-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[3,5-diamino-2-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methylsulfanylmethylsulfanyl]-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide;N-[(1S,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(4-nitrophenyl)propan-2-yl]propanamide;tert-butyl N-[2-[(2S,4S,5R)-2-[[2-[[(1R,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(4-nitrophenyl)propan-2-yl]amino]-2-oxoethyl]sulfanylmethylsulfanylmethyl]-5-[2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-6-hydroxy-3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]oxy-4-hydroxyoxolan-3-yl]oxy-4,5-dihydroxy-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-3-yl]carbamate;tert-butyl N-[5-bromo-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-3-[(2R,3S,5S)-4-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-3-hydroxy-5-(sulfanylmethylsulfanylmethyl)oxolan-2-yl]oxy-4-hydroxycyclohexyl]carbamate?
The InChIKey is JXECXKVAPUTBTN-RZQOVLJTSA-N. The full InChI is InChI=1S/C77H136N8O29S2Si2.C49H86BrN5O22S2.C35H60N8O17S2.C24H44N2O5Si2/c1-70(2,3)108-64(93)78-34-45-52(88)54(90)49(83-68(97)112-74(13,14)15)61(102-45)105-58-43(82-67(96)111-73(10,11)12)33-42(81-66(95)110-72(7,8)9)51(87)60(58)107-63-56(92)59(106-62-50(84-69(98)113-75(16,17)18)55(91)53(89)46(103-62)35-79-65(94)109-71(4,5)6)47(104-63)37-115-39-116-38-48(86)80-44(36-101-117(25,26)76(19,20)21)57(114-118(27,28)77(22,23)24)40-29-31-41(32-30-40)85(99)100;1-45(2,3)73-40(62)51-17-23-29(57)31(59)26(54-43(65)76-48(10,11)12)37(67-23)70-34-22(53-42(64)75-47(7,8)9)16-21(50)28(56)36(34)72-39-33(61)35(25(69-39)19-79-20-78)71-38-27(55-44(66)77-49(13,14)15)32(60)30(58)24(68-38)18-52-41(63)74-46(4,5)6;36-6-17-25(48)27(50)21(40)33(55-17)58-30-15(39)5-14(38)24(47)32(30)60-35-29(52)31(59-34-22(41)28(51)26(49)18(7-37)56-34)19(57-35)9-61-11-62-10-20(45)42-16(8-44)23(46)12-1-3-13(4-2-12)43(53)54;1-12-21(27)25-20(17-30-32(8,9)23(2,3)4)22(31-33(10,11)24(5,6)7)18-13-15-19(16-14-18)26(28)29/h29-32,42-47,49-63,87-92H,33-39H2,1-28H3,(H,78,93)(H,79,94)(H,80,86)(H,81,95)(H,82,96)(H,83,97)(H,84,98);21-39,56-61,78H,16-20H2,1-15H3,(H,51,62)(H,52,63)(H,53,64)(H,54,65)(H,55,66);1-4,14-19,21-35,44,46-52H,5-11,36-41H2,(H,42,45);13-16,20,22H,12,17H2,1-11H3,(H,25,27)/t42?,43?,44-,45?,46?,47-,49?,50?,51?,52?,53?,54?,55?,56+,57-,58?,59?,60?,61?,62?,63+;21?,22?,23?,24?,25-,26?,27?,28?,29?,30?,31?,32?,33+,34?,35?,36?,37?,38?,39+;14?,15?,16-,17?,18?,19-,21?,22?,23-,24?,25?,26?,27?,28?,29+,30?,31?,32?,33?,34?,35+;20-,22+/m1111/s1.
What are the key properties of 2-[[(2S,4S,5R)-3-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[3,5-diamino-2-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methylsulfanylmethylsulfanyl]-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide;N-[(1S,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(4-nitrophenyl)propan-2-yl]propanamide;tert-butyl N-[2-[(2S,4S,5R)-2-[[2-[[(1R,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(4-nitrophenyl)propan-2-yl]amino]-2-oxoethyl]sulfanylmethylsulfanylmethyl]-5-[2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-6-hydroxy-3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]oxy-4-hydroxyoxolan-3-yl]oxy-4,5-dihydroxy-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-3-yl]carbamate;tert-butyl N-[5-bromo-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-3-[(2R,3S,5S)-4-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-3-hydroxy-5-(sulfanylmethylsulfanylmethyl)oxolan-2-yl]oxy-4-hydroxycyclohexyl]carbamate?
2-[[(2S,4S,5R)-3-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[3,5-diamino-2-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methylsulfanylmethylsulfanyl]-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide;N-[(1S,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(4-nitrophenyl)propan-2-yl]propanamide;tert-butyl N-[2-[(2S,4S,5R)-2-[[2-[[(1R,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(4-nitrophenyl)propan-2-yl]amino]-2-oxoethyl]sulfanylmethylsulfanylmethyl]-5-[2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-6-hydroxy-3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]oxy-4-hydroxyoxolan-3-yl]oxy-4,5-dihydroxy-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-3-yl]carbamate;tert-butyl N-[5-bromo-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-3-[(2R,3S,5S)-4-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-3-hydroxy-5-(sulfanylmethylsulfanylmethyl)oxolan-2-yl]oxy-4-hydroxycyclohexyl]carbamate has a molecular weight of 4425.38 g/mol, XLogP of 9.34, 74 rotatable bonds, 41 hydrogen bond donors, and 85 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S,4S,5R)-3-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[3,5-diamino-2-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methylsulfanylmethylsulfanyl]-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide;N-[(1S,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(4-nitrophenyl)propan-2-yl]propanamide;tert-butyl N-[2-[(2S,4S,5R)-2-[[2-[[(1R,2R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(4-nitrophenyl)propan-2-yl]amino]-2-oxoethyl]sulfanylmethylsulfanylmethyl]-5-[2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-6-hydroxy-3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]oxy-4-hydroxyoxolan-3-yl]oxy-4,5-dihydroxy-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-3-yl]carbamate;tert-butyl N-[5-bromo-2-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-3-[(2R,3S,5S)-4-[4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-3-hydroxy-5-(sulfanylmethylsulfanylmethyl)oxolan-2-yl]oxy-4-hydroxycyclohexyl]carbamate is sourced from PubChem (CID 159050244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).