General Information of the Compound
| Compound ID |
CP0499327
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C52H101N27O11
|
||||||||||||||||||
| Molecular Weight |
1280.558
|
||||||||||||||||||
| Canonical SMILES |
NCCCC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C52H101N27O11/c53-21-3-1-12-30(72-39(81)29(55)11-5-23-67-48(57)58)40(82)73-31(13-2-4-22-54)42(84)77-35(16-8-26-70-51(63)64)46(88)79-28-10-18-37(79)45(87)76-34(19-20-38(56)80)44(86)75-32(14-6-24-68-49(59)60)41(83)74-33(15-7-25-69-50(61)62)43(85)78-36(47(89)90)17-9-27-71-52(65)66/h29-37H,1-28,53-55H2,(H2,56,80)(H,72,81)(H,73,82)(H,74,83)(H,75,86)(H,76,87)(H,77,84)(H,78,85)(H,89,90)(H4,57,58,67)(H4,59,60,68)(H4,61,62,69)(H4,63,64,70)(H4,65,66,71)/t29-,30-,31-,32-,33-,34-,35-,36-,37-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XOBCYBIYOHGQPS-IZROAPMXSA-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