General Information of the Compound
| Compound ID |
CP0211127
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S)-3-[[(2S,3S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-cyclohexylpropanoyl]amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-4-[[(2S)-1-[[(2S,3S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C43H78N16O11
|
||||||||||||||||||
| Molecular Weight |
995.198
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@@H](N)CC1CCCCC1)[C@@H](C)CC)C(=O)NCC(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C43H78N16O11/c1-5-23(3)34(40(69)53-20-30(45)60)58-38(67)28(15-11-17-51-43(48)49)56-39(68)29(19-33(63)64)57-41(70)35(24(4)6-2)59-37(66)27(14-10-16-50-42(46)47)55-32(62)22-52-31(61)21-54-36(65)26(44)18-25-12-8-7-9-13-25/h23-29,34-35H,5-22,44H2,1-4H3,(H2,45,60)(H,52,61)(H,53,69)(H,54,65)(H,55,62)(H,56,68)(H,57,70)(H,58,67)(H,59,66)(H,63,64)(H4,46,47,50)(H4,48,49,51)/t23-,24-,26-,27-,28-,29-,34-,35-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UPFUUVQOGOFJPD-XZQNLZECSA-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