General Information of the Compound
| Compound ID |
CP0399978
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 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]-4-(4-hydroxyphenyl)butanoyl]amino]-3-methylpentanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C39H67N11O9
|
||||||||||||||||||
| Molecular Weight |
834.033
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](CCc1ccc(O)cc1)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/C39H67N11O9/c1-7-22(5)31(33(41)54)49-36(57)28(16-13-24-11-14-25(52)15-12-24)47-35(56)27(10-9-17-44-39(42)43)46-30(53)19-45-38(59)32(23(6)8-2)50-37(58)29(18-21(3)4)48-34(55)26(40)20-51/h11-12,14-15,21-23,26-29,31-32,51-52H,7-10,13,16-20,40H2,1-6H3,(H2,41,54)(H,45,59)(H,46,53)(H,47,56)(H,48,55)(H,49,57)(H,50,58)(H4,42,43,44)/t22-,23-,26-,27-,28-,29-,31-,32-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IDQIUUSKJXPWLA-GFWSYSKKSA-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