Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B2DTK4
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| Binder Name |
3-[(3S,6S,12S,15S,21S,24S,30S,36S,39S,42S)-6,15,24-Tris(carboxymethyl)-12,21,30-tris[3-(diaminomethylideneamino)propyl]-36-[(1R)-1-hydroxyethyl]-3-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41-tetradecaoxo-1,4,7,10,13,16,19,22,25,28,31,34,37,40-tetradecazabicyclo[40.3.0]pentatetracontan-39-yl]propanoic acid
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| Synonyms |
CHEMBL4068971
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| Binder Type |
Small molecular drug
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| Structure |
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Download2D MOL
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| Formula |
C58H95N23O23
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| Canonical SMILES |
C[C@H]([C@H]1C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N1)CCC(=O)O)CC(C)C)CC(=O)O)CCCN=C(N)N)CC(=O)O)CCCN=C(N)N)CC(=O)O)CCCN=C(N)N)O
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| InChI |
1S/C58H95N23O23/c1-26(2)18-35-55(104)81-17-7-11-36(81)53(102)78-31(12-13-41(87)88)49(98)80-45(27(3)82)54(103)71-25-37(83)72-28(8-4-14-65-56(59)60)46(95)68-22-38(84)73-32(19-42(89)90)50(99)76-29(9-5-15-66-57(61)62)47(96)69-23-39(85)74-33(20-43(91)92)51(100)77-30(10-6-16-67-58(63)64)48(97)70-24-40(86)75-34(21-44(93)94)52(101)79-35/h26-36,45,82H,4-25H2,1-3H3,(H,68,95)(H,69,96)(H,70,97)(H,71,103)(H,72,83)(H,73,84)(H,74,85)(H,75,86)(H,76,99)(H,77,100)(H,78,102)(H,79,101)(H,80,98)(H,87,88)(H,89,90)(H,91,92)(H,93,94)(H4,59,60,65)(H4,61,62,66)(H4,63,64,67)/t27-,28+,29+,30+,31+,32+,33+,34+,35+,36+,45+/m1/s1
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| InChIKey |
FJIFKZZFHVQDLX-JGBICBFTSA-N
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| PubChem Compound ID | ||||
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