General Information of the Compound
| Compound ID |
CP0472045
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-acetamido-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-6-amino-N-[(2S)-1-[2-(4-carbamimidoylphenyl)ethylamino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]hexanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C58H104N18O9
|
||||||||||||||||||
| Molecular Weight |
1197.587
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCc1ccc(cc1)C(N)=N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C58H104N18O9/c1-32(2)28-43(69-37(11)77)52(81)73-45(30-34(5)6)54(83)75-46(31-35(7)8)55(84)74-44(29-33(3)4)53(82)71-42(18-15-26-68-58(64)65)51(80)76-47(36(9)10)56(85)72-41(16-12-13-24-59)50(79)70-40(17-14-25-67-57(62)63)49(78)66-27-23-38-19-21-39(22-20-38)48(60)61/h19-22,32-36,40-47H,12-18,23-31,59H2,1-11H3,(H3,60,61)(H,66,78)(H,69,77)(H,70,79)(H,71,82)(H,72,85)(H,73,81)(H,74,84)(H,75,83)(H,76,80)(H4,62,63,67)(H4,64,65,68)/t40-,41-,42-,43+,44-,45-,46-,47-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KJVZAJGSDBZBEC-LQXMKOPKSA-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