General Information of the Compound
| Compound ID |
CP0540306
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-(4-phenylphenyl)propanoyl]amino]acetyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C72H106N22O15
|
||||||||||||||||||
| Molecular Weight |
1519.779
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C72H106N22O15/c1-42(62(101)90-54(22-14-34-82-72(79)80)67(106)92-52(20-10-12-32-74)68(107)94-57(41-95)70(109)87-43(2)63(102)91-53(21-13-33-81-71(77)78)66(105)89-51(61(76)100)19-9-11-31-73)86-59(98)40-85-65(104)55(37-46-23-27-48(28-24-46)47-17-7-4-8-18-47)93-69(108)56(36-44-15-5-3-6-16-44)88-60(99)39-83-58(97)38-84-64(103)50(75)35-45-25-29-49(96)30-26-45/h3-8,15-18,23-30,42-43,50-57,95-96H,9-14,19-22,31-41,73-75H2,1-2H3,(H2,76,100)(H,83,97)(H,84,103)(H,85,104)(H,86,98)(H,87,109)(H,88,99)(H,89,105)(H,90,101)(H,91,102)(H,92,106)(H,93,108)(H,94,107)(H4,77,78,81)(H4,79,80,82)/t42-,43-,50-,51-,52-,53-,54-,55-,56-,57-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HWIMCLCDXHUAHC-OXVZNCNTSA-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 | |||||||||||||||||||
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