General Information of the Compound
| Compound ID |
CP0434587
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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]-3-(4-nitrophenyl)-1-oxopropan-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]furan-2-carboxamide
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| Structure |
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| Formula |
C40H61N11O10
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| Molecular Weight |
855.995
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccco1)[C@@H](C)CC)C(N)=O
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| InChI |
InChI=1S/C40H61N11O10/c1-7-23(5)32(34(41)53)49-37(56)29(20-25-13-15-26(16-14-25)51(59)60)47-35(54)27(11-9-17-44-40(42)43)46-31(52)21-45-39(58)33(24(6)8-2)50-36(55)28(19-22(3)4)48-38(57)30-12-10-18-61-30/h10,12-16,18,22-24,27-29,32-33H,7-9,11,17,19-21H2,1-6H3,(H2,41,53)(H,45,58)(H,46,52)(H,47,54)(H,48,57)(H,49,56)(H,50,55)(H4,42,43,44)/t23-,24-,27-,28-,29-,32-,33-/m0/s1
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| InChIKey |
JMLUVXHKPBQLOM-DRMJLGPGSA-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