General Information of the Compound
| Compound ID |
CP0478975
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| Compound Name |
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-6-amino-N-[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]hexanamide
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| Structure |
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| Formula |
C54H103N17O10
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| Molecular Weight |
1150.527
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| Canonical SMILES |
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(N)=O
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| InChI |
InChI=1S/C54H103N17O10/c1-28(2)24-38(63-34(13)72)48(77)67-40(26-30(5)6)50(79)69-41(27-31(7)8)51(80)68-39(25-29(3)4)49(78)65-37(20-17-23-62-54(59)60)47(76)71-43(33(11)12)52(81)66-35(18-14-15-21-55)45(74)64-36(19-16-22-61-53(57)58)46(75)70-42(32(9)10)44(56)73/h28-33,35-43H,14-27,55H2,1-13H3,(H2,56,73)(H,63,72)(H,64,74)(H,65,78)(H,66,81)(H,67,77)(H,68,80)(H,69,79)(H,70,75)(H,71,76)(H4,57,58,61)(H4,59,60,62)/t35-,36-,37-,38-,39-,40-,41-,42-,43-/m0/s1
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| InChIKey |
MOGAAGJAMMGUAD-GMIRWQTLSA-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