General Information of the Compound
| Compound ID |
CP0385810
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| Compound Name |
(3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
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| Structure |
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| Formula |
C56H80N14O15S2
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| Molecular Weight |
1253.473
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| Canonical SMILES |
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(N)=O
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| InChI |
InChI=1S/C56H80N14O15S2/c1-31(2)22-39(52(81)64-36(48(59)77)18-20-86-4)63-45(72)29-61-55(84)43(24-33-14-10-7-11-15-33)70(3)56(85)42(23-32-12-8-6-9-13-32)69-50(79)37(16-17-44(58)71)66-54(83)41(27-47(75)76)68-53(82)40(25-34-28-60-30-62-34)67-51(80)38(19-21-87-5)65-49(78)35(57)26-46(73)74/h6-15,28,30-31,35-43H,16-27,29,57H2,1-5H3,(H2,58,71)(H2,59,77)(H,60,62)(H,61,84)(H,63,72)(H,64,81)(H,65,78)(H,66,83)(H,67,80)(H,68,82)(H,69,79)(H,73,74)(H,75,76)/t35-,36-,37-,38-,39-,40-,41-,42-,43-/m0/s1
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| InChIKey |
NUWHKRWXGOFGNU-GMIRWQTLSA-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