General Information of the Compound
| Compound ID |
CP0495324
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C41H55N11O8
|
||||||||||||||||||
| Molecular Weight |
829.96
|
||||||||||||||||||
| Canonical SMILES |
NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C41H55N11O8/c42-24-34(54)47-25-35(55)48-32(22-27-13-6-2-7-14-27)39(59)50-30(18-20-53)38(58)52-33(23-28-15-8-3-9-16-28)40(60)49-29(17-10-19-46-41(44)45)37(57)51-31(36(43)56)21-26-11-4-1-5-12-26/h1-9,11-16,29-33,53H,10,17-25,42H2,(H2,43,56)(H,47,54)(H,48,55)(H,49,60)(H,50,59)(H,51,57)(H,52,58)(H4,44,45,46)/t29-,30-,31-,32-,33-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RVNVTUCFXUQQDJ-ZTTXAYQISA-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