General Information of the Compound
| Compound ID |
CP0471498
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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,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]hexanamide
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| Structure |
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| Formula |
C53H101N17O11
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| Molecular Weight |
1152.499
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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@@H](C)O)C(N)=O
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| InChI |
InChI=1S/C53H101N17O11/c1-27(2)23-37(62-33(12)72)47(77)66-39(25-29(5)6)49(79)68-40(26-30(7)8)50(80)67-38(24-28(3)4)48(78)64-35(18-15-21-60-52(56)57)45(75)69-41(31(9)10)51(81)65-34(17-13-14-20-54)44(74)63-36(19-16-22-61-53(58)59)46(76)70-42(32(11)71)43(55)73/h27-32,34-42,71H,13-26,54H2,1-12H3,(H2,55,73)(H,62,72)(H,63,74)(H,64,78)(H,65,81)(H,66,77)(H,67,80)(H,68,79)(H,69,75)(H,70,76)(H4,56,57,60)(H4,58,59,61)/t32-,34+,35+,36+,37+,38+,39+,40+,41+,42+/m1/s1
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| InChIKey |
IVRWNECFUKZFIO-ZQNCWKIPSA-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