General Information of the Compound
| Compound ID |
CP0409479
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-(2,2-dimethylpropanoylamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanoyl]amino]-3-methylpentanoyl]amino]hexanamide
Show/Hide
|
||||||||||||||||||
| Synonyms |
CHEMBL270231
Piv-RYYRIK-NH2
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C47H76N14O8
|
||||||||||||||||||
| Molecular Weight |
965.215
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)C(C)(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C47H76N14O8/c1-6-28(2)37(43(68)56-32(38(49)63)16-10-11-23-48)61-40(65)33(17-12-24-54-45(50)51)57-41(66)36(27-30-19-21-31(62)22-20-30)59-42(67)35(26-29-14-8-7-9-15-29)58-39(64)34(18-13-25-55-46(52)53)60-44(69)47(3,4)5/h7-9,14-15,19-22,28,32-37,62H,6,10-13,16-18,23-27,48H2,1-5H3,(H2,49,63)(H,56,68)(H,57,66)(H,58,64)(H,59,67)(H,60,69)(H,61,65)(H4,50,51,54)(H4,52,53,55)/t28-,32-,33-,34-,35-,36-,37-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KUMVVDGHDQEFOK-KHLMYIKTSA-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