General Information of the Compound
| Compound ID |
CP0424703
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| Compound Name |
(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[4-[3-[(2R)-3-amino-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]-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]butanoylamino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanamide
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| Formula |
C108H187N37O25S
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| Molecular Weight |
2435.985
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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](CCCNC(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](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSC1CC(=O)N(CCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)C1=O)C(N)=O
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| InChI |
InChI=1S/C108H187N37O25S/c1-63(129-85(150)60-128-105(169)88(65(3)147)144-103(167)79(56-67-31-8-5-9-32-67)132-86(151)59-126-84(149)58-127-93(157)68(117)55-66-29-6-4-7-30-66)91(155)134-77(41-26-52-124-107(120)121)99(163)140-75(39-16-24-50-115)101(165)142-80(61-146)104(168)130-64(2)92(156)135-78(42-27-53-125-108(122)123)100(164)141-76(40-17-25-51-116)102(166)143-81(90(119)154)62-171-82-57-87(152)145(106(82)170)54-28-43-83(148)131-70(34-11-19-45-110)94(158)136-72(36-13-21-47-112)96(160)138-74(38-15-23-49-114)98(162)139-73(37-14-22-48-113)97(161)137-71(35-12-20-46-111)95(159)133-69(89(118)153)33-10-18-44-109/h4-9,29-32,63-65,68-82,88,146-147H,10-28,33-62,109-117H2,1-3H3,(H2,118,153)(H2,119,154)(H,126,149)(H,127,157)(H,128,169)(H,129,150)(H,130,168)(H,131,148)(H,132,151)(H,133,159)(H,134,155)(H,135,156)(H,136,158)(H,137,161)(H,138,160)(H,139,162)(H,140,163)(H,141,164)(H,142,165)(H,143,166)(H,144,167)(H4,120,121,124)(H4,122,123,125)/t63-,64-,65+,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82?,88-/m0/s1
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| InChIKey |
ZJMNUJBYYOAUSZ-GOEGEEEPSA-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