Source:http://linkedlifedata.com/resource/chembl/compound/1071511
| Predicate | Object |
|---|---|
| rdf:type | |
| chemicalCompound:standardIn... |
InChI=1S/C137H235N33O33/c1-23-77(15)107(165-125(190)98(65-85-43-26-25-27-44-85)158-126(191)101(69-171)160-119(184)91(49-32-38-56-140)152-121(186)99(156-115(180)88(144)46-30-36-54-138)66-86-67-145-89-47-29-28-45-87(86)89)131(196)154-93(51-34-40-58-142)117(182)150-90(48-31-37-55-139)118(183)157-96(62-72(5)6)123(188)166-112(84(22)176)135(200)169-110(82(20)174)133(198)148-80(18)114(179)162-105(75(11)12)129(194)153-92(50-33-39-57-141)116(181)151-94(52-35-41-59-143)120(185)163-106(76(13)14)130(195)159-97(63-73(7)8)124(189)167-111(83(21)175)134(199)168-109(81(19)173)128(193)146-68-104(177)149-100(64-74(9)10)136(201)170-60-42-53-103(170)127(192)147-79(17)113(178)155-95(61-71(3)4)122(187)164-108(78(16)24-2)132(197)161-102(70-172)137(202)203/h25-29,43-45,47,67,71-84,88,90-103,105-112,145,171-176H,23-24,30-42,46,48-66,68-70,138-144H2,1-22H3,(H,146,193)(H,147,192)(H,148,198)(H,149,177)(H,150,182)(H,151,181)(H,152,186)(H,153,194)(H,154,196)(H,155,178)(H,156,180)(H,157,183)(H,158,191)(H,159,195)(H,160,184)(H,161,197)(H,162,179)(H,163,185)(H,164,187)(H,165,190)(H,166,188)(H,167,189)(H,168,199)(H,169,200)(H,202,203)/t77-,78-,79-,80-,81+,82+,83+,84+,88-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,105-,106-,107-,108-,109-,110-,111-,112-/m0/s1
|
| chemicalCompound:standardIn... |
YTMVHPKQAAWGDB-WQLYSLMQSA-N
|
| chemicalCompound:canonicalS... |
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H](N)CCCCN)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)O
|
| chemicalCompound:molecularF... |
C137H235N33O33
|
| chemicalCompound:moleculeId |
1071511
|
| chemicalCompound:mwFreebase |
2872.53
|
| chemicalCompound:fullMwt |
2872.53
|
| chemicalCompound:chemblId |
CHEMBL1673362
|
| chemicalCompound:maxPhase |
0
|
| chemicalCompound:therapeuti... |
0
|
| chemicalCompound:dosedIngre... |
No
|
| chemicalCompound:structureT... | |
| chemicalCompound:chebi | |
| chemicalCompound:moleculeTy... | |
| chemicalCompound:oral |
No
|
| chemicalCompound:parenteral |
No
|
| chemicalCompound:topical |
No
|
| chemicalCompound:blackBoxWa... |
No
|
| chemicalCompound:naturalPro... |
No
|
| chemicalCompound:proDrug |
No
|
| chemicalCompound:activity |