General Information of the Compound
| Compound ID |
CP0455486
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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-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]hexanamide
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| Structure |
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| Formula |
C55H106N20O10
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| Molecular Weight |
1207.583
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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](CCCNC(N)=N)C(N)=O
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| InChI |
InChI=1S/C55H106N20O10/c1-29(2)25-39(67-34(11)76)48(81)72-41(27-31(5)6)50(83)74-42(28-32(7)8)51(84)73-40(26-30(3)4)49(82)70-38(20-16-24-66-55(62)63)47(80)75-43(33(9)10)52(85)71-36(17-12-13-21-56)46(79)69-37(19-15-23-65-54(60)61)45(78)68-35(44(57)77)18-14-22-64-53(58)59/h29-33,35-43H,12-28,56H2,1-11H3,(H2,57,77)(H,67,76)(H,68,78)(H,69,79)(H,70,82)(H,71,85)(H,72,81)(H,73,84)(H,74,83)(H,75,80)(H4,58,59,64)(H4,60,61,65)(H4,62,63,66)/t35-,36-,37-,38-,39-,40-,41-,42-,43-/m0/s1
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| InChIKey |
NGTHYENJBQAZNI-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