Chembl437484

Structural Information

Molecular Formula

C₆₃H₁₀₄N₁₈O₂₇

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)CC(CC(=O)NCCCCCCNC(=O)O[C@@H]([C@H]2[C@@H]([C@H](C=C(O2)C(=O)O)N=C(N)N)NC(=O)C)[C@@H](CO)O)C(=O)NCCCCCCNC(=O)O[C@@H]([C@H]3[C@@H]([C@H](C=C(O3)C(=O)O)N=C(N)N)NC(=O)C)[C@@H](CO)O)C(=O)O)N=C(N)N

InChI

InChI=1S/C63H104N18O27/c1-30(85)76-45-34(79-58(64)65)24-40(55(94)95)103-51(45)48(37(88)27-82)106-61(100)73-19-13-7-4-10-16-70-43(91)22-33(54(93)72-18-12-6-9-15-21-75-63(102)108-50(39(90)29-84)53-47(78-32(3)87)36(81-60(68)69)26-42(105-53)57(98)99)23-44(92)71-17-11-5-8-14-20-74-62(101)107-49(38(89)28-83)52-46(77-31(2)86)35(80-59(66)67)25-41(104-52)56(96)97/h24-26,33-39,45-53,82-84,88-90H,4-23,27-29H2,1-3H3,(H,70,91)(H,71,92)(H,72,93)(H,73,100)(H,74,101)(H,75,102)(H,76,85)(H,77,86)(H,78,87)(H,94,95)(H,96,97)(H,98,99)(H4,64,65,79)(H4,66,67,80)(H4,68,69,81)/t34-,35-,36-,37+,38+,39+,45+,46+,47+,48+,49+,50+,51+,52+,53+/m0/s1

InChIKey

IMULGKNFILUHDV-KEGIZNEKSA-N

Compound name

(2R,3R,4S)-3-acetamido-2-[(1R,2R)-1-[6-[[5-[6-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-6-carboxy-4-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylamino]-3-[6-[[(1R,2R)-1-[(2R,3R,4S)-3-acetamido-6-carboxy-4-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-2-yl]-2,3-dihydroxypropoxy]carbonylamino]hexylcarbamoyl]-5-oxopentanoyl]amino]hexylcarbamoyloxy]-2,3-dihydroxypropyl]-4-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-6-carboxylic acid

Related CIDs

• CID 6480988