General Information of the Compound
| Compound ID |
CP0440537
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| Compound Name |
(2S)-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-[[(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-hydroxy-4-methylpentylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-5-hydroxy-5-iminopentanoic acid
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| Synonyms |
FGGFTGARKSARKLLNQ
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| Structure |
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| Formula |
C82H135N27O22
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| Molecular Weight |
1851.149
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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](CC(C)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/C82H135N27O22/c1-43(2)34-56(74(124)106-57(35-44(3)4)75(125)107-59(38-62(87)113)76(126)104-55(80(130)131)28-29-61(86)112)105-72(122)51(24-14-16-30-83)102-71(121)54(27-19-33-93-82(90)91)101-68(118)46(6)98-78(128)60(42-110)108-73(123)52(25-15-17-31-84)103-70(120)53(26-18-32-92-81(88)89)100-67(117)45(5)97-64(115)41-96-79(129)66(47(7)111)109-77(127)58(37-49-22-12-9-13-23-49)99-65(116)40-94-63(114)39-95-69(119)50(85)36-48-20-10-8-11-21-48/h8-13,20-23,43-47,50-60,66,110-111H,14-19,24-42,83-85H2,1-7H3,(H2,86,112)(H2,87,113)(H,94,114)(H,95,119)(H,96,129)(H,97,115)(H,98,128)(H,99,116)(H,100,117)(H,101,118)(H,102,121)(H,103,120)(H,104,126)(H,105,122)(H,106,124)(H,107,125)(H,108,123)(H,109,127)(H,130,131)(H4,88,89,92)(H4,90,91,93)/t45-,46-,47+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,66-/m0/s1
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| InChIKey |
OQBMVKTZJNOYNF-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