(2r,3r,4s)-3-acetamido-2-[(1r,2r)-2,3-dihydroxy-1-[6-[[2,4,5-tris[6-[[(1r,2r)-1-[(2r,3r,4s)-3-acetamido-6-carboxy-4-guanidino-3,4-dihydro-2h-pyran-2-yl]-2,3-dihydroxy-propoxy]carbonylamino]hexylcarbamoyl]benzoyl]amino]hexylcarbamoyloxy]propyl]-4-guanidino-3,4-dihydro-2h-pyran-6-carboxylic acid

Structural Information

Molecular Formula

C₈₆H₁₃₄N₂₄O₃₆

SMILES

CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)OC(=O)NCCCCCCNC(=O)C2=CC(=C(C=C2C(=O)NCCCCCCNC(=O)O[C@@H]([C@H]3[C@@H]([C@H](C=C(O3)C(=O)O)NC(=N)N)NC(=O)C)[C@@H](CO)O)C(=O)NCCCCCCNC(=O)O[C@@H]([C@H]4[C@@H]([C@H](C=C(O4)C(=O)O)NC(=N)N)NC(=O)C)[C@@H](CO)O)C(=O)NCCCCCCNC(=O)O[C@@H]([C@H]5[C@@H]([C@H](C=C(O5)C(=O)O)NC(=N)N)NC(=O)C)[C@@H](CO)O)C(=O)O)NC(=N)N

InChI

InChI=1S/C86H134N24O36/c1-39(115)103-59-47(107-79(87)88)31-55(75(127)128)139-67(59)63(51(119)35-111)143-83(135)99-25-17-9-5-13-21-95-71(123)43-29-45(73(125)97-23-15-7-11-19-27-101-85(137)145-65(53(121)37-113)69-61(105-41(3)117)49(109-81(91)92)33-57(141-69)77(131)132)46(74(126)98-24-16-8-12-20-28-102-86(138)146-66(54(122)38-114)70-62(106-42(4)118)50(110-82(93)94)34-58(142-70)78(133)134)30-44(43)72(124)96-22-14-6-10-18-26-100-84(136)144-64(52(120)36-112)68-60(104-40(2)116)48(108-80(89)90)32-56(140-68)76(129)130/h29-34,47-54,59-70,111-114,119-122H,5-28,35-38H2,1-4H3,(H,95,123)(H,96,124)(H,97,125)(H,98,126)(H,99,135)(H,100,136)(H,101,137)(H,102,138)(H,103,115)(H,104,116)(H,105,117)(H,106,118)(H,127,128)(H,129,130)(H,131,132)(H,133,134)(H4,87,88,107)(H4,89,90,108)(H4,91,92,109)(H4,93,94,110)/t47-,48-,49-,50-,51+,52+,53+,54+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+/m0/s1

InChIKey

PSNFEKAHVIGWBB-HEMZRZQDSA-N

Compound name

(2R,3R,4S)-3-acetamido-4-carbamimidamido-2-[(1R,2R)-2,3-dihydroxy-1-[6-[[2,4,5-tris[6-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-4-carbamimidamido-6-carboxy-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylcarbamoyl]benzoyl]amino]hexylcarbamoyloxy]propyl]-3,4-dihydro-2H-pyran-6-carboxylic acid

Related CIDs

• CID 16134000