General Information of the Compound
| Compound ID |
CP0850549
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| Compound Name |
4-[[(1S)-5-amino-1-[[(1S)-5-amino-1-[[(1S)-2-[[(1S)-1-benzyl-2-[[(1R)-2-[[(1S)-1-[[(1S)-1-carbamoyl-3-methyl-butyl]carbamoyl]-3-methyl-butyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-(1-naphthylmethyl)-2-oxo-ethyl]carbamoyl]pentyl]carbamoyl]pentyl]amino]-4-oxo-butanoic acid
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| Structure |
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| Formula |
C61H83N11O10
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| Molecular Weight |
1130.402
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CCC(=O)O)C(N)=O
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| InChI |
InChI=1S/C61H83N11O10/c1-37(2)31-48(55(64)76)68-58(79)49(32-38(3)4)69-61(82)52(35-42-36-65-45-24-11-10-23-44(42)45)72-59(80)50(33-39-17-6-5-7-18-39)70-60(81)51(34-41-21-16-20-40-19-8-9-22-43(40)41)71-57(78)47(26-13-15-30-63)67-56(77)46(25-12-14-29-62)66-53(73)27-28-54(74)75/h5-11,16-24,36-38,46-52,65H,12-15,25-35,62-63H2,1-4H3,(H2,64,76)(H,66,73)(H,67,77)(H,68,79)(H,69,82)(H,70,81)(H,71,78)(H,72,80)(H,74,75)/t46-,47-,48-,49-,50-,51-,52+/m0/s1
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| InChIKey |
MTYDDMBFZLAIDF-ROBDFGABSA-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