General Information of the Compound
| Compound ID |
CP0406297
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| Compound Name |
(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]-methylamino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]pentanediamide
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| Synonyms |
F-G-G-F-T-G-MeA-R-K-S-A-R-K-L-A-N-Q-CONH2
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| Structure |
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| Formula |
C80H132N28O21
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| Molecular Weight |
1822.111
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)N(C)C(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O
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| InChI |
InChI=1S/C80H132N28O21/c1-42(2)34-55(74(125)96-44(4)67(118)104-57(37-60(85)112)75(126)99-50(65(86)116)28-29-59(84)111)105-72(123)51(24-14-16-30-81)102-70(121)53(26-18-32-91-79(87)88)100-66(117)43(3)97-77(128)58(41-109)106-73(124)52(25-15-17-31-82)103-71(122)54(27-19-33-92-80(89)90)101-68(119)45(5)108(7)63(115)40-95-78(129)64(46(6)110)107-76(127)56(36-48-22-12-9-13-23-48)98-62(114)39-93-61(113)38-94-69(120)49(83)35-47-20-10-8-11-21-47/h8-13,20-23,42-46,49-58,64,109-110H,14-19,24-41,81-83H2,1-7H3,(H2,84,111)(H2,85,112)(H2,86,116)(H,93,113)(H,94,120)(H,95,129)(H,96,125)(H,97,128)(H,98,114)(H,99,126)(H,100,117)(H,101,119)(H,102,121)(H,103,122)(H,104,118)(H,105,123)(H,106,124)(H,107,127)(H4,87,88,91)(H4,89,90,92)/t43-,44-,45-,46+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,64-/m0/s1
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| InChIKey |
JKAMREUJRZWECK-FKPOJLNCSA-N
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| 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
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Map of Molecular Bioactivity Related to the Compound
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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 |
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Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound