General Information of the Compound
| Compound ID |
CP0440535
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| Compound Name |
(2S)-6-amino-2-[[(2S)-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-[[2-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid
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| Synonyms |
CHEMBL499157
FGGFTGARKSARKLARK
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| Structure |
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| Formula |
C73H130N28O19
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| Molecular Weight |
1704.02
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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)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(O)=O
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| InChI |
InChI=1S/C73H130N28O19/c1-39(2)33-52(67(116)91-41(4)59(108)95-50(26-18-32-86-73(82)83)64(113)98-51(70(119)120)23-12-15-29-76)99-65(114)46(21-10-13-27-74)96-63(112)49(25-17-31-85-72(80)81)94-60(109)42(5)92-68(117)53(38-102)100-66(115)47(22-11-14-28-75)97-62(111)48(24-16-30-84-71(78)79)93-58(107)40(3)90-55(105)37-89-69(118)57(43(6)103)101-56(106)36-87-54(104)35-88-61(110)45(77)34-44-19-8-7-9-20-44/h7-9,19-20,39-43,45-53,57,102-103H,10-18,21-38,74-77H2,1-6H3,(H,87,104)(H,88,110)(H,89,118)(H,90,105)(H,91,116)(H,92,117)(H,93,107)(H,94,109)(H,95,108)(H,96,112)(H,97,111)(H,98,113)(H,99,114)(H,100,115)(H,101,106)(H,119,120)(H4,78,79,84)(H4,80,81,85)(H4,82,83,86)/t40-,41-,42-,43+,45-,46-,47-,48-,49-,50-,51-,52-,53-,57-/m0/s1
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| InChIKey |
UNHQLKTVYYARAV-VKORATPISA-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