General Information of the Compound
| Compound ID |
CP0495177
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| Compound Name |
(2S)-2-amino-N-[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]pentanediamide
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| Structure |
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| Formula |
C43H77N19O10
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| Molecular Weight |
1020.212
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(N)=O
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| InChI |
InChI=1S/C43H77N19O10/c1-23(2)18-29(37(68)61-31(21-63)39(70)60-30(19-24-20-52-22-55-24)38(69)56-26(34(47)65)8-3-4-14-44)59-36(67)27(9-5-15-53-42(48)49)57-40(71)32-11-7-17-62(32)41(72)28(10-6-16-54-43(50)51)58-35(66)25(45)12-13-33(46)64/h20,22-23,25-32,63H,3-19,21,44-45H2,1-2H3,(H2,46,64)(H2,47,65)(H,52,55)(H,56,69)(H,57,71)(H,58,66)(H,59,67)(H,60,70)(H,61,68)(H4,48,49,53)(H4,50,51,54)/t25-,26-,27-,28-,29-,30-,31-,32-/m0/s1
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| InChIKey |
HRAJETBPKVMYFH-ALERXTORSA-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