General Information of the Compound
| Compound ID |
CP0415079
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| Compound Name |
(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-[(2S)-2-[[(2S,3R)-2-[[(2S)-2-(hexadecanoylamino)-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C60H100N10O11
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| Molecular Weight |
1137.519
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| Canonical SMILES |
CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(N)=O
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| InChI |
InChI=1S/C60H100N10O11/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-30-49(73)67-50(38(6)7)58(79)69-52(41(10)72)59(80)66-47(33-37(4)5)60(81)70-31-26-29-48(70)57(78)65-45(32-36(2)3)56(77)64-46(34-42-35-62-44-28-25-24-27-43(42)44)55(76)63-39(8)54(75)68-51(40(9)71)53(61)74/h24-25,27-28,35-41,45-48,50-52,62,71-72H,11-23,26,29-34H2,1-10H3,(H2,61,74)(H,63,76)(H,64,77)(H,65,78)(H,66,80)(H,67,73)(H,68,75)(H,69,79)/t39-,40+,41+,45-,46-,47-,48-,50-,51-,52-/m0/s1
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| InChIKey |
GCBHACDNHIGDPP-BZUYQOIOSA-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