General Information of the Compound
| Compound ID |
CP0468535
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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-carbamimidamidopentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]propanoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid
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| Synonyms |
FGGFTGARKSARKAANQ
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| Structure |
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| Formula |
C76H123N27O22
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| Molecular Weight |
1766.987
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| Canonical SMILES |
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(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](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)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/C76H123N27O22/c1-39(91-58(109)37-90-73(123)60(43(5)105)103-71(121)52(33-45-20-10-7-11-21-45)95-59(110)36-88-57(108)35-89-65(115)46(79)32-44-18-8-6-9-19-44)62(112)96-49(24-16-30-86-75(82)83)68(118)99-48(23-13-15-29-78)69(119)102-54(38-104)72(122)94-42(4)63(113)97-50(25-17-31-87-76(84)85)67(117)98-47(22-12-14-28-77)66(116)93-40(2)61(111)92-41(3)64(114)101-53(34-56(81)107)70(120)100-51(74(124)125)26-27-55(80)106/h6-11,18-21,39-43,46-54,60,104-105H,12-17,22-38,77-79H2,1-5H3,(H2,80,106)(H2,81,107)(H,88,108)(H,89,115)(H,90,123)(H,91,109)(H,92,111)(H,93,116)(H,94,122)(H,95,110)(H,96,112)(H,97,113)(H,98,117)(H,99,118)(H,100,120)(H,101,114)(H,102,119)(H,103,121)(H,124,125)(H4,82,83,86)(H4,84,85,87)/t39-,40-,41-,42-,43+,46-,47-,48-,49-,50-,51-,52-,53-,54-,60-/m0/s1
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| InChIKey |
FMVUBOOWCUPBBL-OVWUADNCSA-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