(2R,4S,5R,6R)-6-[(1R,2R)-1-[2-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S,6S)-3-acetamido-4-(2-amino-2-iminoethyl)-6-sulfooxan-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]ethylcarbamoyloxy]-2,3-dihydroxypropyl]-4-(2-amino-2-iminoethyl)-5-methyloxane-2-sulfonic acid;(2R,4S,5R,6R)-6-[(S)-2-[2-[2-[2-[[(S)-[(2R,3R,4S,6S)-3-acetamido-4-[4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylimino]-4-oxobutyl]-6-sulfooxan-2-yl]-[(4R)-2-oxo-1,3-dioxolan-4-yl]methoxy]carbonylamino]ethoxy]ethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]ethylcarbamoyloxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]-5-methyl-4-[4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylimino]-4-oxobutyl]oxane-2-sulfonic acid;N,N-bis[2-(2-aminoethoxy)ethyl]-3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanamide;(2R,4S,5R,6R)-4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-5-methyl-6-[(S)-(4-nitrophenoxy)carbonyloxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]oxane-2-sulfonic acid;(2R,4S,5R,6R)-4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-sulfonic acid;(2S,4S,5R,6R)-6-[(1R,2R)-1,2-diacetyloxybutyl]-5-methyl-4-(phenylmethoxycarbonylamino)oxane-2-sulfonic acid

C204H335N25O102S7 — CID 159887756

IUPAC(2R,4S,5R,6R)-6-[(1R,2R)-1-[2-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S,6S)-3-acetamido-4-(2-amino-2-iminoethyl)-6-sulfooxan-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]ethylcarbamoyloxy]-2,3-dihydroxypropyl]-4-(2-amino-2-iminoethyl)-5-methyloxane-2-sulfonic acid;(2R,4S,5R,6R)-6-[(S)-2-[2-[2-[2-[[(S)-[(2R,3R,4S,6S)-3-acetamido-4-[4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylimino]-4-oxobutyl]-6-sulfooxan-2-yl]-[(4R)-2-oxo-1,3-dioxolan-4-yl]methoxy]carbonylamino]ethoxy]ethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]ethylcarbamoyloxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]-5-methyl-4-[4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylimino]-4-oxobutyl]oxane-2-sulfonic acid;N,N-bis[2-(2-aminoethoxy)ethyl]-3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanamide;(2R,4S,5R,6R)-4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-5-methyl-6-[(S)-(4-nitrophenoxy)carbonyloxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]oxane-2-sulfonic acid;(2R,4S,5R,6R)-4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-sulfonic acid;(2S,4S,5R,6R)-6-[(1R,2R)-1,2-diacetyloxybutyl]-5-methyl-4-(phenylmethoxycarbonylamino)oxane-2-sulfonic acid
SMILESC#CCOCCOCCOCCOCCC(=O)N(CCOCCN)CCOCCN.C#CCOCCOCCOCCOCCC(=O)N(CCOCCNC(=O)O[C@@H]([C@@H]1O[C@H](S(=O)(=O)O)C[C@H](CC(CC(=O)OC(C)(C)C)=NC(=O)OC(C)(C)C)[C@H]1C)[C@H]1COC(=O)O1)CCOCCNC(=O)O[C@@H]([C@@H]1O[C@@H](S(=O)(=O)O)C[C@H](CC(CC(=O)OC(C)(C)C)=NC(=O)OC(C)(C)C)[C@H]1NC(C)=O)[C@H]1COC(=O)O1.CC1[C@@H](N=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C[C@@H](S(=O)(=O)O)O[C@H]1[C@H](OC(=O)Oc1ccc([N+](=O)[O-])cc1)[C@H]1COC(=O)O1.CC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H](S(=O)(=O)O)C[C@H](NC(=O)OCc2ccccc2)[C@H]1C.C[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@H](S(=O)(=O)O)C[C@@H]1N=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C.[H]/N=C(\N)C[C@H]1C[C@@H](S(=O)(=O)O)O[C@@H]([C@H](OC(=O)NCCOCCN(CCOCCNC(=O)O[C@@H]([C@@H]2O[C@@H](S(=O)(=O)O)C[C@H](C/C(N)=N/[H])[C@H]2NC(C)=O)[C@H](O)CO)C(=O)CCOCCOCCOCCOCC#C)[C@H](O)CO)[C@@H]1C
InChIInChI=1S/C69H110N6O34S2.C45H80N8O24S2.C28H38N4O16S.C22H31NO10S.C20H37N3O11S.C20H39N3O7/c1-16-22-92-28-30-96-32-33-97-31-29-93-23-17-50(77)75(20-26-94-24-18-70-60(80)104-57(48-40-98-64(84)100-48)56-42(2)44(36-53(102-56)110(86,87)88)34-46(38-51(78)106-66(4,5)6)73-62(82)108-68(10,11)12)21-27-95-25-19-71-61(81)105-58(49-41-99-65(85)101-49)59-55(72-43(3)76)45(37-54(103-59)111(89,90)91)35-47(39-52(79)107-67(7,8)9)74-63(83)109-69(13,14)15;1-4-10-68-16-18-72-20-21-73-19-17-69-11-5-36(59)53(8-14-70-12-6-50-44(60)76-41(32(57)26-54)40-28(2)30(22-34(46)47)24-37(74-40)78(62,63)64)9-15-71-13-7-51-45(61)77-42(33(58)27-55)43-39(52-29(3)56)31(23-35(48)49)25-38(75-43)79(65,66)67;1-14-17(29-22(30-23(33)47-27(2,3)4)31-24(34)48-28(5,6)7)12-19(49(39,40)41)45-20(14)21(18-13-42-25(35)44-18)46-26(36)43-16-10-8-15(9-11-16)32(37)38;1-5-18(31-14(3)24)21(32-15(4)25)20-13(2)17(11-19(33-20)34(27,28)29)23-22(26)30-12-16-9-7-6-8-10-16;1-10-11(8-13(35(29,30)31)32-15(10)14(26)12(25)9-24)21-16(22-17(27)33-19(2,3)4)23-18(28)34-20(5,6)7;1-2-8-25-14-16-29-18-19-30-17-15-26-9-3-20(24)23(6-12-27-10-4-21)7-13-28-11-5-22/h1,42,44-45,48-49,53-59H,17-41H2,2-15H3,(H,70,80)(H,71,81)(H,72,76)(H,86,87,88)(H,89,90,91);1,28,30-33,37-43,54-55,57-58H,5-27H2,2-3H3,(H3,46,47)(H3,48,49)(H,50,60)(H,51,61)(H,52,56)(H,62,63,64)(H,65,66,67);8-11,14,17-21H,12-13H2,1-7H3,(H,39,40,41)(H2,29,30,31,33,34);6-10,13,17-21H,5,11-12H2,1-4H3,(H,23,26)(H,27,28,29);10-15,24-26H,8-9H2,1-7H3,(H,29,30,31)(H2,21,22,23,27,28);1H,3-19,21-22H2/t42-,44+,45+,48-,49-,53-,54+,55-,56-,57-,58-,59-;28-,30+,31+,32-,33-,37-,38+,39-,40-,41-,42-,43-;14?,17-,18+,19+,20+,21+;13-,17+,18-,19+,20-,21-;10-,11+,12-,13-,14-,15-;/m11011./s1
InChIKeyNUITYLIEIZSFTO-WACGHWHDSA-N
MW4994.47 g/mol
LogP5.03
Rot. Bonds126

About (2R,4S,5R,6R)-6-[(1R,2R)-1-[2-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S,6S)-3-acetamido-4-(2-amino-2-iminoethyl)-6-sulfooxan-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]ethylcarbamoyloxy]-2,3-dihydroxypropyl]-4-(2-amino-2-iminoethyl)-5-methyloxane-2-sulfonic acid;(2R,4S,5R,6R)-6-[(S)-2-[2-[2-[2-[[(S)-[(2R,3R,4S,6S)-3-acetamido-4-[4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylimino]-4-oxobutyl]-6-sulfooxan-2-yl]-[(4R)-2-oxo-1,3-dioxolan-4-yl]methoxy]carbonylamino]ethoxy]ethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]ethylcarbamoyloxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]-5-methyl-4-[4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylimino]-4-oxobutyl]oxane-2-sulfonic acid;N,N-bis[2-(2-aminoethoxy)ethyl]-3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanamide;(2R,4S,5R,6R)-4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-5-methyl-6-[(S)-(4-nitrophenoxy)carbonyloxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]oxane-2-sulfonic acid;(2R,4S,5R,6R)-4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-sulfonic acid;(2S,4S,5R,6R)-6-[(1R,2R)-1,2-diacetyloxybutyl]-5-methyl-4-(phenylmethoxycarbonylamino)oxane-2-sulfonic acid

(2R,4S,5R,6R)-6-[(1R,2R)-1-[2-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S,6S)-3-acetamido-4-(2-amino-2-iminoethyl)-6-sulfooxan-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]ethylcarbamoyloxy]-2,3-dihydroxypropyl]-4-(2-amino-2-iminoethyl)-5-methyloxane-2-sulfonic acid;(2R,4S,5R,6R)-6-[(S)-2-[2-[2-[2-[[(S)-[(2R,3R,4S,6S)-3-acetamido-4-[4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylimino]-4-oxobutyl]-6-sulfooxan-2-yl]-[(4R)-2-oxo-1,3-dioxolan-4-yl]methoxy]carbonylamino]ethoxy]ethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]ethylcarbamoyloxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]-5-methyl-4-[4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylimino]-4-oxobutyl]oxane-2-sulfonic acid;N,N-bis[2-(2-aminoethoxy)ethyl]-3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanamide;(2R,4S,5R,6R)-4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-5-methyl-6-[(S)-(4-nitrophenoxy)carbonyloxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]oxane-2-sulfonic acid;(2R,4S,5R,6R)-4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-sulfonic acid;(2S,4S,5R,6R)-6-[(1R,2R)-1,2-diacetyloxybutyl]-5-methyl-4-(phenylmethoxycarbonylamino)oxane-2-sulfonic acid (PubChem CID 159887756) has the molecular formula C204H335N25O102S7 and a molecular weight of 4994.47 g/mol. Its IUPAC name is (2R,4S,5R,6R)-6-[(1R,2R)-1-[2-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S,6S)-3-acetamido-4-(2-amino-2-iminoethyl)-6-sulfooxan-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]ethylcarbamoyloxy]-2,3-dihydroxypropyl]-4-(2-amino-2-iminoethyl)-5-methyloxane-2-sulfonic acid;(2R,4S,5R,6R)-6-[(S)-2-[2-[2-[2-[[(S)-[(2R,3R,4S,6S)-3-acetamido-4-[4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylimino]-4-oxobutyl]-6-sulfooxan-2-yl]-[(4R)-2-oxo-1,3-dioxolan-4-yl]methoxy]carbonylamino]ethoxy]ethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]ethylcarbamoyloxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]-5-methyl-4-[4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylimino]-4-oxobutyl]oxane-2-sulfonic acid;N,N-bis[2-(2-aminoethoxy)ethyl]-3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanamide;(2R,4S,5R,6R)-4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-5-methyl-6-[(S)-(4-nitrophenoxy)carbonyloxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]oxane-2-sulfonic acid;(2R,4S,5R,6R)-4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-sulfonic acid;(2S,4S,5R,6R)-6-[(1R,2R)-1,2-diacetyloxybutyl]-5-methyl-4-(phenylmethoxycarbonylamino)oxane-2-sulfonic acid.

Molecular Properties

Compound Name(2R,4S,5R,6R)-6-[(1R,2R)-1-[2-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S,6S)-3-acetamido-4-(2-amino-2-iminoethyl)-6-sulfooxan-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]ethylcarbamoyloxy]-2,3-dihydroxypropyl]-4-(2-amino-2-iminoethyl)-5-methyloxane-2-sulfonic acid;(2R,4S,5R,6R)-6-[(S)-2-[2-[2-[2-[[(S)-[(2R,3R,4S,6S)-3-acetamido-4-[4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylimino]-4-oxobutyl]-6-sulfooxan-2-yl]-[(4R)-2-oxo-1,3-dioxolan-4-yl]methoxy]carbonylamino]ethoxy]ethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]ethylcarbamoyloxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]-5-methyl-4-[4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylimino]-4-oxobutyl]oxane-2-sulfonic acid;N,N-bis[2-(2-aminoethoxy)ethyl]-3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanamide;(2R,4S,5R,6R)-4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-5-methyl-6-[(S)-(4-nitrophenoxy)carbonyloxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]oxane-2-sulfonic acid;(2R,4S,5R,6R)-4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-sulfonic acid;(2S,4S,5R,6R)-6-[(1R,2R)-1,2-diacetyloxybutyl]-5-methyl-4-(phenylmethoxycarbonylamino)oxane-2-sulfonic acid
PubChem CID159887756
Molecular FormulaC204H335N25O102S7
Molecular Weight4994.47 g/mol
Exact Mass4990.98
IUPAC Name(2R,4S,5R,6R)-6-[(1R,2R)-1-[2-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S,6S)-3-acetamido-4-(2-amino-2-iminoethyl)-6-sulfooxan-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]ethylcarbamoyloxy]-2,3-dihydroxypropyl]-4-(2-amino-2-iminoethyl)-5-methyloxane-2-sulfonic acid;(2R,4S,5R,6R)-6-[(S)-2-[2-[2-[2-[[(S)-[(2R,3R,4S,6S)-3-acetamido-4-[4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylimino]-4-oxobutyl]-6-sulfooxan-2-yl]-[(4R)-2-oxo-1,3-dioxolan-4-yl]methoxy]carbonylamino]ethoxy]ethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]ethylcarbamoyloxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]-5-methyl-4-[4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylimino]-4-oxobutyl]oxane-2-sulfonic acid;N,N-bis[2-(2-aminoethoxy)ethyl]-3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanamide;(2R,4S,5R,6R)-4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-5-methyl-6-[(S)-(4-nitrophenoxy)carbonyloxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]oxane-2-sulfonic acid;(2R,4S,5R,6R)-4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-sulfonic acid;(2S,4S,5R,6R)-6-[(1R,2R)-1,2-diacetyloxybutyl]-5-methyl-4-(phenylmethoxycarbonylamino)oxane-2-sulfonic acid
SMILESC#CCOCCOCCOCCOCCC(=O)N(CCOCCN)CCOCCN.C#CCOCCOCCOCCOCCC(=O)N(CCOCCNC(=O)O[C@@H]([C@@H]1O[C@H](S(=O)(=O)O)C[C@H](CC(CC(=O)OC(C)(C)C)=NC(=O)OC(C)(C)C)[C@H]1C)[C@H]1COC(=O)O1)CCOCCNC(=O)O[C@@H]([C@@H]1O[C@@H](S(=O)(=O)O)C[C@H](CC(CC(=O)OC(C)(C)C)=NC(=O)OC(C)(C)C)[C@H]1NC(C)=O)[C@H]1COC(=O)O1.CC1[C@@H](N=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C[C@@H](S(=O)(=O)O)O[C@H]1[C@H](OC(=O)Oc1ccc([N+](=O)[O-])cc1)[C@H]1COC(=O)O1.CC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H](S(=O)(=O)O)C[C@H](NC(=O)OCc2ccccc2)[C@H]1C.C[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@H](S(=O)(=O)O)C[C@@H]1N=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C.[H]/N=C(\N)C[C@H]1C[C@@H](S(=O)(=O)O)O[C@@H]([C@H](OC(=O)NCCOCCN(CCOCCNC(=O)O[C@@H]([C@@H]2O[C@@H](S(=O)(=O)O)C[C@H](C/C(N)=N/[H])[C@H]2NC(C)=O)[C@H](O)CO)C(=O)CCOCCOCCOCCOCC#C)[C@H](O)CO)[C@@H]1C
InChIInChI=1S/C69H110N6O34S2.C45H80N8O24S2.C28H38N4O16S.C22H31NO10S.C20H37N3O11S.C20H39N3O7/c1-16-22-92-28-30-96-32-33-97-31-29-93-23-17-50(77)75(20-26-94-24-18-70-60(80)104-57(48-40-98-64(84)100-48)56-42(2)44(36-53(102-56)110(86,87)88)34-46(38-51(78)106-66(4,5)6)73-62(82)108-68(10,11)12)21-27-95-25-19-71-61(81)105-58(49-41-99-65(85)101-49)59-55(72-43(3)76)45(37-54(103-59)111(89,90)91)35-47(39-52(79)107-67(7,8)9)74-63(83)109-69(13,14)15;1-4-10-68-16-18-72-20-21-73-19-17-69-11-5-36(59)53(8-14-70-12-6-50-44(60)76-41(32(57)26-54)40-28(2)30(22-34(46)47)24-37(74-40)78(62,63)64)9-15-71-13-7-51-45(61)77-42(33(58)27-55)43-39(52-29(3)56)31(23-35(48)49)25-38(75-43)79(65,66)67;1-14-17(29-22(30-23(33)47-27(2,3)4)31-24(34)48-28(5,6)7)12-19(49(39,40)41)45-20(14)21(18-13-42-25(35)44-18)46-26(36)43-16-10-8-15(9-11-16)32(37)38;1-5-18(31-14(3)24)21(32-15(4)25)20-13(2)17(11-19(33-20)34(27,28)29)23-22(26)30-12-16-9-7-6-8-10-16;1-10-11(8-13(35(29,30)31)32-15(10)14(26)12(25)9-24)21-16(22-17(27)33-19(2,3)4)23-18(28)34-20(5,6)7;1-2-8-25-14-16-29-18-19-30-17-15-26-9-3-20(24)23(6-12-27-10-4-21)7-13-28-11-5-22/h1,42,44-45,48-49,53-59H,17-41H2,2-15H3,(H,70,80)(H,71,81)(H,72,76)(H,86,87,88)(H,89,90,91);1,28,30-33,37-43,54-55,57-58H,5-27H2,2-3H3,(H3,46,47)(H3,48,49)(H,50,60)(H,51,61)(H,52,56)(H,62,63,64)(H,65,66,67);8-11,14,17-21H,12-13H2,1-7H3,(H,39,40,41)(H2,29,30,31,33,34);6-10,13,17-21H,5,11-12H2,1-4H3,(H,23,26)(H,27,28,29);10-15,24-26H,8-9H2,1-7H3,(H,29,30,31)(H2,21,22,23,27,28);1H,3-19,21-22H2/t42-,44+,45+,48-,49-,53-,54+,55-,56-,57-,58-,59-;28-,30+,31+,32-,33-,37-,38+,39-,40-,41-,42-,43-;14?,17-,18+,19+,20+,21+;13-,17+,18-,19+,20-,21-;10-,11+,12-,13-,14-,15-;/m11011./s1
InChIKeyNUITYLIEIZSFTO-WACGHWHDSA-N
XLogP5.03
TPSA1761.33 Ų
H-Bond Donors31
H-Bond Acceptors101
Rotatable Bonds126
Heavy Atoms338
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004994.47
LogP ≤ 55.03
H-Bond Donors ≤ 531
H-Bond Acceptors ≤ 10101

Analyze (2R,4S,5R,6R)-6-[(1R,2R)-1-[2-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S,6S)-3-acetamido-4-(2-amino-2-iminoethyl)-6-sulfooxan-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]ethylcarbamoyloxy]-2,3-dihydroxypropyl]-4-(2-amino-2-iminoethyl)-5-methyloxane-2-sulfonic acid;(2R,4S,5R,6R)-6-[(S)-2-[2-[2-[2-[[(S)-[(2R,3R,4S,6S)-3-acetamido-4-[4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylimino]-4-oxobutyl]-6-sulfooxan-2-yl]-[(4R)-2-oxo-1,3-dioxolan-4-yl]methoxy]carbonylamino]ethoxy]ethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]ethylcarbamoyloxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]-5-methyl-4-[4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylimino]-4-oxobutyl]oxane-2-sulfonic acid;N,N-bis[2-(2-aminoethoxy)ethyl]-3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanamide;(2R,4S,5R,6R)-4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-5-methyl-6-[(S)-(4-nitrophenoxy)carbonyloxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]oxane-2-sulfonic acid;(2R,4S,5R,6R)-4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-sulfonic acid;(2S,4S,5R,6R)-6-[(1R,2R)-1,2-diacetyloxybutyl]-5-methyl-4-(phenylmethoxycarbonylamino)oxane-2-sulfonic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R,6R)-6-[(1R,2R)-1-[2-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S,6S)-3-acetamido-4-(2-amino-2-iminoethyl)-6-sulfooxan-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]ethylcarbamoyloxy]-2,3-dihydroxypropyl]-4-(2-amino-2-iminoethyl)-5-methyloxane-2-sulfonic acid;(2R,4S,5R,6R)-6-[(S)-2-[2-[2-[2-[[(S)-[(2R,3R,4S,6S)-3-acetamido-4-[4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylimino]-4-oxobutyl]-6-sulfooxan-2-yl]-[(4R)-2-oxo-1,3-dioxolan-4-yl]methoxy]carbonylamino]ethoxy]ethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]ethylcarbamoyloxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]-5-methyl-4-[4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylimino]-4-oxobutyl]oxane-2-sulfonic acid;N,N-bis[2-(2-aminoethoxy)ethyl]-3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanamide;(2R,4S,5R,6R)-4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-5-methyl-6-[(S)-(4-nitrophenoxy)carbonyloxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]oxane-2-sulfonic acid;(2R,4S,5R,6R)-4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-sulfonic acid;(2S,4S,5R,6R)-6-[(1R,2R)-1,2-diacetyloxybutyl]-5-methyl-4-(phenylmethoxycarbonylamino)oxane-2-sulfonic acid?
The IUPAC name of (2R,4S,5R,6R)-6-[(1R,2R)-1-[2-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S,6S)-3-acetamido-4-(2-amino-2-iminoethyl)-6-sulfooxan-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]ethylcarbamoyloxy]-2,3-dihydroxypropyl]-4-(2-amino-2-iminoethyl)-5-methyloxane-2-sulfonic acid;(2R,4S,5R,6R)-6-[(S)-2-[2-[2-[2-[[(S)-[(2R,3R,4S,6S)-3-acetamido-4-[4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylimino]-4-oxobutyl]-6-sulfooxan-2-yl]-[(4R)-2-oxo-1,3-dioxolan-4-yl]methoxy]carbonylamino]ethoxy]ethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]ethylcarbamoyloxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]-5-methyl-4-[4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylimino]-4-oxobutyl]oxane-2-sulfonic acid;N,N-bis[2-(2-aminoethoxy)ethyl]-3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanamide;(2R,4S,5R,6R)-4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-5-methyl-6-[(S)-(4-nitrophenoxy)carbonyloxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]oxane-2-sulfonic acid;(2R,4S,5R,6R)-4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-sulfonic acid;(2S,4S,5R,6R)-6-[(1R,2R)-1,2-diacetyloxybutyl]-5-methyl-4-(phenylmethoxycarbonylamino)oxane-2-sulfonic acid (CID 159887756) is (2R,4S,5R,6R)-6-[(1R,2R)-1-[2-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S,6S)-3-acetamido-4-(2-amino-2-iminoethyl)-6-sulfooxan-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]ethylcarbamoyloxy]-2,3-dihydroxypropyl]-4-(2-amino-2-iminoethyl)-5-methyloxane-2-sulfonic acid;(2R,4S,5R,6R)-6-[(S)-2-[2-[2-[2-[[(S)-[(2R,3R,4S,6S)-3-acetamido-4-[4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylimino]-4-oxobutyl]-6-sulfooxan-2-yl]-[(4R)-2-oxo-1,3-dioxolan-4-yl]methoxy]carbonylamino]ethoxy]ethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]ethylcarbamoyloxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]-5-methyl-4-[4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylimino]-4-oxobutyl]oxane-2-sulfonic acid;N,N-bis[2-(2-aminoethoxy)ethyl]-3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanamide;(2R,4S,5R,6R)-4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-5-methyl-6-[(S)-(4-nitrophenoxy)carbonyloxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]oxane-2-sulfonic acid;(2R,4S,5R,6R)-4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-sulfonic acid;(2S,4S,5R,6R)-6-[(1R,2R)-1,2-diacetyloxybutyl]-5-methyl-4-(phenylmethoxycarbonylamino)oxane-2-sulfonic acid.
What is the SMILES notation for (2R,4S,5R,6R)-6-[(1R,2R)-1-[2-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S,6S)-3-acetamido-4-(2-amino-2-iminoethyl)-6-sulfooxan-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]ethylcarbamoyloxy]-2,3-dihydroxypropyl]-4-(2-amino-2-iminoethyl)-5-methyloxane-2-sulfonic acid;(2R,4S,5R,6R)-6-[(S)-2-[2-[2-[2-[[(S)-[(2R,3R,4S,6S)-3-acetamido-4-[4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylimino]-4-oxobutyl]-6-sulfooxan-2-yl]-[(4R)-2-oxo-1,3-dioxolan-4-yl]methoxy]carbonylamino]ethoxy]ethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]ethylcarbamoyloxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]-5-methyl-4-[4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylimino]-4-oxobutyl]oxane-2-sulfonic acid;N,N-bis[2-(2-aminoethoxy)ethyl]-3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanamide;(2R,4S,5R,6R)-4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-5-methyl-6-[(S)-(4-nitrophenoxy)carbonyloxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]oxane-2-sulfonic acid;(2R,4S,5R,6R)-4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-sulfonic acid;(2S,4S,5R,6R)-6-[(1R,2R)-1,2-diacetyloxybutyl]-5-methyl-4-(phenylmethoxycarbonylamino)oxane-2-sulfonic acid?
The canonical SMILES for (2R,4S,5R,6R)-6-[(1R,2R)-1-[2-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S,6S)-3-acetamido-4-(2-amino-2-iminoethyl)-6-sulfooxan-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]ethylcarbamoyloxy]-2,3-dihydroxypropyl]-4-(2-amino-2-iminoethyl)-5-methyloxane-2-sulfonic acid;(2R,4S,5R,6R)-6-[(S)-2-[2-[2-[2-[[(S)-[(2R,3R,4S,6S)-3-acetamido-4-[4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylimino]-4-oxobutyl]-6-sulfooxan-2-yl]-[(4R)-2-oxo-1,3-dioxolan-4-yl]methoxy]carbonylamino]ethoxy]ethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]ethylcarbamoyloxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]-5-methyl-4-[4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylimino]-4-oxobutyl]oxane-2-sulfonic acid;N,N-bis[2-(2-aminoethoxy)ethyl]-3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanamide;(2R,4S,5R,6R)-4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-5-methyl-6-[(S)-(4-nitrophenoxy)carbonyloxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]oxane-2-sulfonic acid;(2R,4S,5R,6R)-4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-sulfonic acid;(2S,4S,5R,6R)-6-[(1R,2R)-1,2-diacetyloxybutyl]-5-methyl-4-(phenylmethoxycarbonylamino)oxane-2-sulfonic acid is C#CCOCCOCCOCCOCCC(=O)N(CCOCCN)CCOCCN.C#CCOCCOCCOCCOCCC(=O)N(CCOCCNC(=O)O[C@@H]([C@@H]1O[C@H](S(=O)(=O)O)C[C@H](CC(CC(=O)OC(C)(C)C)=NC(=O)OC(C)(C)C)[C@H]1C)[C@H]1COC(=O)O1)CCOCCNC(=O)O[C@@H]([C@@H]1O[C@@H](S(=O)(=O)O)C[C@H](CC(CC(=O)OC(C)(C)C)=NC(=O)OC(C)(C)C)[C@H]1NC(C)=O)[C@H]1COC(=O)O1.CC1[C@@H](N=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C[C@@H](S(=O)(=O)O)O[C@H]1[C@H](OC(=O)Oc1ccc([N+](=O)[O-])cc1)[C@H]1COC(=O)O1.CC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H](S(=O)(=O)O)C[C@H](NC(=O)OCc2ccccc2)[C@H]1C.C[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@H](S(=O)(=O)O)C[C@@H]1N=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C.[H]/N=C(\N)C[C@H]1C[C@@H](S(=O)(=O)O)O[C@@H]([C@H](OC(=O)NCCOCCN(CCOCCNC(=O)O[C@@H]([C@@H]2O[C@@H](S(=O)(=O)O)C[C@H](C/C(N)=N/[H])[C@H]2NC(C)=O)[C@H](O)CO)C(=O)CCOCCOCCOCCOCC#C)[C@H](O)CO)[C@@H]1C.
What is the InChIKey of (2R,4S,5R,6R)-6-[(1R,2R)-1-[2-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S,6S)-3-acetamido-4-(2-amino-2-iminoethyl)-6-sulfooxan-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]ethylcarbamoyloxy]-2,3-dihydroxypropyl]-4-(2-amino-2-iminoethyl)-5-methyloxane-2-sulfonic acid;(2R,4S,5R,6R)-6-[(S)-2-[2-[2-[2-[[(S)-[(2R,3R,4S,6S)-3-acetamido-4-[4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylimino]-4-oxobutyl]-6-sulfooxan-2-yl]-[(4R)-2-oxo-1,3-dioxolan-4-yl]methoxy]carbonylamino]ethoxy]ethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]ethylcarbamoyloxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]-5-methyl-4-[4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylimino]-4-oxobutyl]oxane-2-sulfonic acid;N,N-bis[2-(2-aminoethoxy)ethyl]-3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanamide;(2R,4S,5R,6R)-4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-5-methyl-6-[(S)-(4-nitrophenoxy)carbonyloxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]oxane-2-sulfonic acid;(2R,4S,5R,6R)-4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-sulfonic acid;(2S,4S,5R,6R)-6-[(1R,2R)-1,2-diacetyloxybutyl]-5-methyl-4-(phenylmethoxycarbonylamino)oxane-2-sulfonic acid?
The InChIKey is NUITYLIEIZSFTO-WACGHWHDSA-N. The full InChI is InChI=1S/C69H110N6O34S2.C45H80N8O24S2.C28H38N4O16S.C22H31NO10S.C20H37N3O11S.C20H39N3O7/c1-16-22-92-28-30-96-32-33-97-31-29-93-23-17-50(77)75(20-26-94-24-18-70-60(80)104-57(48-40-98-64(84)100-48)56-42(2)44(36-53(102-56)110(86,87)88)34-46(38-51(78)106-66(4,5)6)73-62(82)108-68(10,11)12)21-27-95-25-19-71-61(81)105-58(49-41-99-65(85)101-49)59-55(72-43(3)76)45(37-54(103-59)111(89,90)91)35-47(39-52(79)107-67(7,8)9)74-63(83)109-69(13,14)15;1-4-10-68-16-18-72-20-21-73-19-17-69-11-5-36(59)53(8-14-70-12-6-50-44(60)76-41(32(57)26-54)40-28(2)30(22-34(46)47)24-37(74-40)78(62,63)64)9-15-71-13-7-51-45(61)77-42(33(58)27-55)43-39(52-29(3)56)31(23-35(48)49)25-38(75-43)79(65,66)67;1-14-17(29-22(30-23(33)47-27(2,3)4)31-24(34)48-28(5,6)7)12-19(49(39,40)41)45-20(14)21(18-13-42-25(35)44-18)46-26(36)43-16-10-8-15(9-11-16)32(37)38;1-5-18(31-14(3)24)21(32-15(4)25)20-13(2)17(11-19(33-20)34(27,28)29)23-22(26)30-12-16-9-7-6-8-10-16;1-10-11(8-13(35(29,30)31)32-15(10)14(26)12(25)9-24)21-16(22-17(27)33-19(2,3)4)23-18(28)34-20(5,6)7;1-2-8-25-14-16-29-18-19-30-17-15-26-9-3-20(24)23(6-12-27-10-4-21)7-13-28-11-5-22/h1,42,44-45,48-49,53-59H,17-41H2,2-15H3,(H,70,80)(H,71,81)(H,72,76)(H,86,87,88)(H,89,90,91);1,28,30-33,37-43,54-55,57-58H,5-27H2,2-3H3,(H3,46,47)(H3,48,49)(H,50,60)(H,51,61)(H,52,56)(H,62,63,64)(H,65,66,67);8-11,14,17-21H,12-13H2,1-7H3,(H,39,40,41)(H2,29,30,31,33,34);6-10,13,17-21H,5,11-12H2,1-4H3,(H,23,26)(H,27,28,29);10-15,24-26H,8-9H2,1-7H3,(H,29,30,31)(H2,21,22,23,27,28);1H,3-19,21-22H2/t42-,44+,45+,48-,49-,53-,54+,55-,56-,57-,58-,59-;28-,30+,31+,32-,33-,37-,38+,39-,40-,41-,42-,43-;14?,17-,18+,19+,20+,21+;13-,17+,18-,19+,20-,21-;10-,11+,12-,13-,14-,15-;/m11011./s1.
What are the key properties of (2R,4S,5R,6R)-6-[(1R,2R)-1-[2-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S,6S)-3-acetamido-4-(2-amino-2-iminoethyl)-6-sulfooxan-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]ethylcarbamoyloxy]-2,3-dihydroxypropyl]-4-(2-amino-2-iminoethyl)-5-methyloxane-2-sulfonic acid;(2R,4S,5R,6R)-6-[(S)-2-[2-[2-[2-[[(S)-[(2R,3R,4S,6S)-3-acetamido-4-[4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylimino]-4-oxobutyl]-6-sulfooxan-2-yl]-[(4R)-2-oxo-1,3-dioxolan-4-yl]methoxy]carbonylamino]ethoxy]ethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]ethylcarbamoyloxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]-5-methyl-4-[4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylimino]-4-oxobutyl]oxane-2-sulfonic acid;N,N-bis[2-(2-aminoethoxy)ethyl]-3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanamide;(2R,4S,5R,6R)-4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-5-methyl-6-[(S)-(4-nitrophenoxy)carbonyloxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]oxane-2-sulfonic acid;(2R,4S,5R,6R)-4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-sulfonic acid;(2S,4S,5R,6R)-6-[(1R,2R)-1,2-diacetyloxybutyl]-5-methyl-4-(phenylmethoxycarbonylamino)oxane-2-sulfonic acid?
(2R,4S,5R,6R)-6-[(1R,2R)-1-[2-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S,6S)-3-acetamido-4-(2-amino-2-iminoethyl)-6-sulfooxan-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]ethylcarbamoyloxy]-2,3-dihydroxypropyl]-4-(2-amino-2-iminoethyl)-5-methyloxane-2-sulfonic acid;(2R,4S,5R,6R)-6-[(S)-2-[2-[2-[2-[[(S)-[(2R,3R,4S,6S)-3-acetamido-4-[4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylimino]-4-oxobutyl]-6-sulfooxan-2-yl]-[(4R)-2-oxo-1,3-dioxolan-4-yl]methoxy]carbonylamino]ethoxy]ethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]ethylcarbamoyloxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]-5-methyl-4-[4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylimino]-4-oxobutyl]oxane-2-sulfonic acid;N,N-bis[2-(2-aminoethoxy)ethyl]-3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanamide;(2R,4S,5R,6R)-4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-5-methyl-6-[(S)-(4-nitrophenoxy)carbonyloxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]oxane-2-sulfonic acid;(2R,4S,5R,6R)-4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-sulfonic acid;(2S,4S,5R,6R)-6-[(1R,2R)-1,2-diacetyloxybutyl]-5-methyl-4-(phenylmethoxycarbonylamino)oxane-2-sulfonic acid has a molecular weight of 4994.47 g/mol, XLogP of 5.03, 126 rotatable bonds, 31 hydrogen bond donors, and 101 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R,6R)-6-[(1R,2R)-1-[2-[2-[2-[2-[[(1R,2R)-1-[(2R,3R,4S,6S)-3-acetamido-4-(2-amino-2-iminoethyl)-6-sulfooxan-2-yl]-2,3-dihydroxypropoxy]carbonylamino]ethoxy]ethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]ethylcarbamoyloxy]-2,3-dihydroxypropyl]-4-(2-amino-2-iminoethyl)-5-methyloxane-2-sulfonic acid;(2R,4S,5R,6R)-6-[(S)-2-[2-[2-[2-[[(S)-[(2R,3R,4S,6S)-3-acetamido-4-[4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylimino]-4-oxobutyl]-6-sulfooxan-2-yl]-[(4R)-2-oxo-1,3-dioxolan-4-yl]methoxy]carbonylamino]ethoxy]ethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]ethylcarbamoyloxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]-5-methyl-4-[4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylimino]-4-oxobutyl]oxane-2-sulfonic acid;N,N-bis[2-(2-aminoethoxy)ethyl]-3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanamide;(2R,4S,5R,6R)-4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-5-methyl-6-[(S)-(4-nitrophenoxy)carbonyloxy-[(4R)-2-oxo-1,3-dioxolan-4-yl]methyl]oxane-2-sulfonic acid;(2R,4S,5R,6R)-4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-sulfonic acid;(2S,4S,5R,6R)-6-[(1R,2R)-1,2-diacetyloxybutyl]-5-methyl-4-(phenylmethoxycarbonylamino)oxane-2-sulfonic acid is sourced from PubChem (CID 159887756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).