General Information of the Compound
| Compound ID |
CP0449343
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-tert-butylphenyl)propanoyl]amino]-3-methylpentanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C42H73N11O8
|
||||||||||||||||||
| Molecular Weight |
860.115
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(cc1)C(C)(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)[C@@H](C)CC)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C42H73N11O8/c1-10-24(5)33(35(44)56)52-39(60)31(20-26-14-16-27(17-15-26)42(7,8)9)51-37(58)29(13-12-18-47-41(45)46)49-32(55)21-48-40(61)34(25(6)11-2)53-38(59)30(19-23(3)4)50-36(57)28(43)22-54/h14-17,23-25,28-31,33-34,54H,10-13,18-22,43H2,1-9H3,(H2,44,56)(H,48,61)(H,49,55)(H,50,57)(H,51,58)(H,52,60)(H,53,59)(H4,45,46,47)/t24-,25-,28-,29-,30-,31-,33-,34-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JHXIXDXUDGOIGR-WTDHRRPASA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound