General Information of the Compound
| Compound ID |
CP0375004
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| Compound Name |
(2S)-2-[[(2S)-2-[[(2S)-6-amino-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-1-hydroxy-3-phenylpropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxypropylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxyhexylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxypropylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxyhexylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxyhexylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-5-hydroxy-5-iminopentanoic acid
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| Synonyms |
FGGFTGARKSARKLKNQ
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| Structure |
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| Formula |
C82H136N28O22
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| Molecular Weight |
1866.164
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=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](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
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| InChI |
InChI=1S/C82H136N28O22/c1-44(2)36-57(75(126)105-52(25-13-16-32-84)73(124)108-59(39-62(88)114)76(127)106-56(80(131)132)29-30-61(87)113)107-72(123)51(24-12-15-31-83)103-71(122)55(28-19-35-94-82(91)92)102-68(119)46(4)99-78(129)60(43-111)109-74(125)53(26-14-17-33-85)104-70(121)54(27-18-34-93-81(89)90)101-67(118)45(3)98-64(116)42-97-79(130)66(47(5)112)110-77(128)58(38-49-22-10-7-11-23-49)100-65(117)41-95-63(115)40-96-69(120)50(86)37-48-20-8-6-9-21-48/h6-11,20-23,44-47,50-60,66,111-112H,12-19,24-43,83-86H2,1-5H3,(H2,87,113)(H2,88,114)(H,95,115)(H,96,120)(H,97,130)(H,98,116)(H,99,129)(H,100,117)(H,101,118)(H,102,119)(H,103,122)(H,104,121)(H,105,126)(H,106,127)(H,107,123)(H,108,124)(H,109,125)(H,110,128)(H,131,132)(H4,89,90,93)(H4,91,92,94)/t45-,46-,47+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,66-/m0/s1
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| InChIKey |
PODXIWAAMNUDTK-WBMOPDPASA-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