General Information of the Compound
| Compound ID |
CP0495178
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-amino-N-[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanediamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H58N14O8
|
||||||||||||||||||
| Molecular Weight |
754.895
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CO)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H58N14O8/c1-16(2)14-20(27(51)44-21(15-46)24(34)48)43-26(50)18(6-3-11-39-30(35)36)41-28(52)22-8-5-13-45(22)29(53)19(7-4-12-40-31(37)38)42-25(49)17(32)9-10-23(33)47/h16-22,46H,3-15,32H2,1-2H3,(H2,33,47)(H2,34,48)(H,41,52)(H,42,49)(H,43,50)(H,44,51)(H4,35,36,39)(H4,37,38,40)/t17-,18-,19-,20-,21-,22-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UQUZYLVNQIBXDB-WLNPFYQQSA-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