General Information of the Compound
| Compound ID |
CP0457913
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-3-(4-nitrophenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]furan-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H50N10O9
|
||||||||||||||||||
| Molecular Weight |
742.835
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccco1)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H50N10O9/c1-5-20(4)28(43-31(48)25(16-19(2)3)42-32(49)26-9-7-15-53-26)33(50)39-18-27(45)40-23(8-6-14-38-34(36)37)30(47)41-24(29(35)46)17-21-10-12-22(13-11-21)44(51)52/h7,9-13,15,19-20,23-25,28H,5-6,8,14,16-18H2,1-4H3,(H2,35,46)(H,39,50)(H,40,45)(H,41,47)(H,42,49)(H,43,48)(H4,36,37,38)/t20-,23-,24-,25-,28-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BVAWIGJPLCUNGR-ASZYQHJZSA-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