General Information of the Compound
| Compound ID |
CP0440964
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-(pentanoylamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanoyl]amino]-3-methylpentanoyl]amino]hexanamide
Show/Hide
|
||||||||||||||||||
| Synonyms |
CHEMBL272084
Va-RYYRIK-NH2
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C47H76N14O8
|
||||||||||||||||||
| Molecular Weight |
965.215
|
||||||||||||||||||
| Canonical SMILES |
CCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C47H76N14O8/c1-4-6-19-38(63)56-34(17-12-25-54-46(50)51)41(65)59-36(27-30-14-8-7-9-15-30)44(68)60-37(28-31-20-22-32(62)23-21-31)43(67)58-35(18-13-26-55-47(52)53)42(66)61-39(29(3)5-2)45(69)57-33(40(49)64)16-10-11-24-48/h7-9,14-15,20-23,29,33-37,39,62H,4-6,10-13,16-19,24-28,48H2,1-3H3,(H2,49,64)(H,56,63)(H,57,69)(H,58,67)(H,59,65)(H,60,68)(H,61,66)(H4,50,51,54)(H4,52,53,55)/t29-,33-,34-,35-,36-,37-,39-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JKNVIONDDVKVIP-INYUMPDKSA-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
Clinical Information about the Compound