General Information of the Compound
| Compound ID |
CP0449779
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| Compound Name |
N-[(2S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
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| Structure |
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| Formula |
C43H69N11O8
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| Molecular Weight |
868.094
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cc(on1)-c1ccc(C)cc1)[C@@H](C)CC)C(N)=O
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| InChI |
InChI=1S/C43H69N11O8/c1-10-26(8)35(37(44)56)52-39(58)30(19-23(3)4)50-38(57)29(13-12-18-47-43(45)46)49-34(55)22-48-42(61)36(27(9)11-2)53-40(59)31(20-24(5)6)51-41(60)32-21-33(62-54-32)28-16-14-25(7)15-17-28/h14-17,21,23-24,26-27,29-31,35-36H,10-13,18-20,22H2,1-9H3,(H2,44,56)(H,48,61)(H,49,55)(H,50,57)(H,51,60)(H,52,58)(H,53,59)(H4,45,46,47)/t26-,27-,29-,30-,31-,35-,36-/m0/s1
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| InChIKey |
AJESXLFWTRQWBV-UMURWTGRSA-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