(2S,3S,4S,5R,6R)-3-[(2R,3R,4S,5R,6R)-5-[2-[2-[2-[2-[[4-[[2-[(2S)-2-[[3-(4-carbamimidoylphenyl)-1-oxo-1-(1-piperidyl)propan-2-yl]carbamoyl]-2-(naphthalen-2-ylsulfonylamino)ethyl]sulfanylacetyl]amino]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-3,4-disulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4S,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4-methoxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-5-sulfooxy-oxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-4-methoxy-5-sulfooxy-oxane-2-carboxylic acid
Molecular Formula:
C78H109N7O70S13
InChI: InChI=1/C78H109N7O70S13/c1-129-54-56(61(72(90)91)147-78(64(54)152-165(117,118)119)143-53-49(35-138-160(102,103)104)141-76(67(155-168(126,127)128)60(53)150-163(111,112)113)145-57-55(130-2)63(151-164(114,115)116)77(146-62(57)73(92)93)142-52-48(34-137-159(99,100)101)139-74(131-3)65(153-166(120,121)122)59(52)149-162(108,109)110)144-75-66(154-167(123,124)125)58(148-161(105,106)107)51(47(140-75)33-136-158(96,97)98)135-30-29-134-28-27-133-26-25-132-24-21-81-69(87)41-15-18-43(19-16-41)82-50(86)37-156-36-46(84-157(94,95)44-20-17-39-9-5-6-10-42(39)32-44)70(88)83-45(71(89)85-22-7-4-8-23-85)31-38-11-13-40(14-12-38)68(79)80/h5-6,9-20,32,45-49,51-67,74-78,84H,4,7-8,21-31,33-37H2,1-3H3,(H3,79,80)(H,81,87)(H,82,86)(H,83,88)(H,90,91)(H,92,93)(H,96,97,98)(H,99,100,101)(H,102,103,104)(H,105,106,107)(H,108,109,110)(H,111,112,113)(H,114,115,116)(H,117,118,119)(H,120,121,122)(H,123,124,125)(H,126,127,128)/t45u,46-,47+,48+,49+,51+,52+,53+,54-,55-,56-,57-,58-,59-,60-,61-,62+,63+,64+,65+,66+,67+,74-,75+,76+,77+,78+/m0/s1/f/h79,81-83,90,92,96,99,102,105,108,111,114,117,120,123,126H,80H2/b79-68-
InChIKey: InChIKey=QSNGSRXFSSBJBJ-GLLOFISRDC
SMILES: COC1C(C(OC(C1OS(=O)(=O)O)OC2C(OC(C(C2OS(=O)(=O)O)OS(=O)(=O)O)OC3C(C(C(OC3C(=O)O)OC4C(OC(C(C4OS(=O)(=O)O)OS(=O)(=O)O)OC)COS(=O)(=O)O)OS(=O)(=O)O)OC)COS(=O)(=O)O)C(=O)O)OC5C(C(C(C(O5)COS(=O)(=O)O)OCCOCCOCCOCCNC(=O)C6=CC=C(C=C6)NC(=O)CSCC(C(=O)NC(CC7=CC=C(C=C7)C(=N)N)C(=O)N8CCCCC8)NS(=O)(=O)C9=CC1=CC=CC=C1C=C9)OS(=O)(=O)O)OS(=O)(=O)O
Names:
(2S,3S,4S,5R,6R)-3-[(2R,3R,4S,5R,6R)-5-[2-[2-[2-[2-[[4-[[2-[(2S)-2-[[3-(4-carbamimidoylphenyl)-1-oxo-1-(1-piperidyl)propan-2-yl]carbamoyl]-2-(naphthalen-2-ylsulfonylamino)ethyl]sulfanylacetyl]amino]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-3,4-disulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4S,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4-methoxy-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-5-sulfooxy-oxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-4-methoxy-5-sulfooxy-oxane-2-carboxylic acid
Registries:
PubChem CID 9920361
PubChem ID 14891218
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