General Information of the Compound
| Compound ID |
CP0486797
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]hexanamide
Show/Hide
|
||||||||||||||||||
| Synonyms |
CHEMBL444110
H-RYYRIK-NH2
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C42H68N14O7
|
||||||||||||||||||
| Molecular Weight |
881.097
|
||||||||||||||||||
| 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](N)CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C42H68N14O7/c1-3-25(2)34(40(63)52-30(35(45)58)14-7-8-20-43)56-37(60)31(15-10-22-51-42(48)49)53-38(61)33(24-27-16-18-28(57)19-17-27)55-39(62)32(23-26-11-5-4-6-12-26)54-36(59)29(44)13-9-21-50-41(46)47/h4-6,11-12,16-19,25,29-34,57H,3,7-10,13-15,20-24,43-44H2,1-2H3,(H2,45,58)(H,52,63)(H,53,61)(H,54,59)(H,55,62)(H,56,60)(H4,46,47,50)(H4,48,49,51)/t25-,29-,30-,31-,32-,33-,34-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NJUUHBQLRQTWGG-QQUOXUDESA-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