Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BE8S7U
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| Binder Name |
(2S,3S)-2-[[(3S,6R,9S,12S,15S)-3-Benzyl-6-[2-[2-(carbamoylamino)phenyl]-2-oxoethyl]-7-methyl-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-methylpentanoic acid
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| Synonyms |
CHEMBL439324; BDBM50192337
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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 |
C45H65N9O10
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| Canonical SMILES |
CC[C@H](C)[C@@H](C(=O)O)NC(=O)N[C@H]1CCCCNC(=O)[C@@H](NC(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)CC(C)C)C)CC(=O)C2=CC=CC=C2NC(=O)N)CC3=CC=CC=C3
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| InChI |
1S/C45H65N9O10/c1-8-27(6)37(43(61)62)53-45(64)51-31-20-14-15-21-47-38(56)32(23-28-16-10-9-11-17-28)48-40(58)34(24-35(55)29-18-12-13-19-30(29)50-44(46)63)54(7)42(60)33(22-25(2)3)49-41(59)36(26(4)5)52-39(31)57/h9-13,16-19,25-27,31-34,36-37H,8,14-15,20-24H2,1-7H3,(H,47,56)(H,48,58)(H,49,59)(H,52,57)(H,61,62)(H3,46,50,63)(H2,51,53,64)/t27-,31-,32-,33-,34+,36-,37-/m0/s1
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| InChIKey |
CRHBMWWUIIIARO-DSJSUDNGSA-N
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| PubChem Compound ID | ||||
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