General Information of the Compound
| Compound ID |
CP0502552
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| Compound Name |
(2S)-5-amino-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]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]-methylamino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid
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| Synonyms |
F-G-G-F-T-G-A-R-K-S-MeA-R-K-L-A-N-Q-COOH
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| Structure |
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| Formula |
C80H131N27O22
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| Molecular Weight |
1823.095
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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)N(C)C(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(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](C)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/C80H131N27O22/c1-42(2)34-55(73(123)96-44(4)66(116)103-57(37-60(85)111)74(124)102-54(78(128)129)28-29-59(84)110)104-71(121)50(24-14-16-30-81)100-70(120)53(27-19-33-91-80(88)89)99-67(117)45(5)107(7)77(127)58(41-108)105-72(122)51(25-15-17-31-82)101-69(119)52(26-18-32-90-79(86)87)98-65(115)43(3)95-62(113)40-94-76(126)64(46(6)109)106-75(125)56(36-48-22-12-9-13-23-48)97-63(114)39-92-61(112)38-93-68(118)49(83)35-47-20-10-8-11-21-47/h8-13,20-23,42-46,49-58,64,108-109H,14-19,24-41,81-83H2,1-7H3,(H2,84,110)(H2,85,111)(H,92,112)(H,93,118)(H,94,126)(H,95,113)(H,96,123)(H,97,114)(H,98,115)(H,99,117)(H,100,120)(H,101,119)(H,102,124)(H,103,116)(H,104,121)(H,105,122)(H,106,125)(H,128,129)(H4,86,87,90)(H4,88,89,91)/t43-,44-,45-,46+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,64-/m0/s1
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| InChIKey |
MJZVYHXPHQEPQQ-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