Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
B68YZX
|
|||
| Binder Name |
(2S)-2-[[(2S)-2-[[(2S)-2-[Acetyl-[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]-3-(4-fluorophenyl)propanoyl]amino]-3-[4-(diaminomethylideneamino)phenyl]propanoyl]amino]-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-methylpentanamide
|
|||
| Synonyms |
CHEMBL3143324
Click to Show/Hide
|
|||
| Binder Type |
Small molecular drug
|
|||
| Structure |
 |
Download2D MOL
|
||
| Formula |
C48H58FN11O6
|
|||
| Canonical SMILES |
CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)[C@H](CC1=CC=C(C=C1)N=C(N)N)NC(=O)[C@H](CC2=CC=C(C=C2)F)N(C(=O)C)C(=O)/C=C/C3=CC=C(C=C3)C4=CC=CC=C4
|
|||
| InChI |
1S/C48H58FN11O6/c1-29(2)26-39(44(64)57-38(43(50)63)10-7-25-55-47(51)52)58-45(65)40(27-32-15-22-37(23-16-32)56-48(53)54)59-46(66)41(28-33-13-20-36(49)21-14-33)60(30(3)61)42(62)24-17-31-11-18-35(19-12-31)34-8-5-4-6-9-34/h4-6,8-9,11-24,29,38-41H,7,10,25-28H2,1-3H3,(H2,50,63)(H,57,64)(H,58,65)(H,59,66)(H4,51,52,55)(H4,53,54,56)/b24-17+/t38-,39-,40-,41-/m0/s1
|
|||
| InChIKey |
MHBYPGVNSRIXSM-CIAPWRBYSA-N
|
|||
| PubChem Compound ID | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.