General Information of the Compound
| Compound ID |
CP0471493
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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-hydroxy-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]hexanamide
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| Structure |
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| Formula |
C52H99N17O11
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| Molecular Weight |
1138.472
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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](CO)C(N)=O
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| InChI |
InChI=1S/C52H99N17O11/c1-27(2)22-36(61-32(11)71)46(76)65-38(24-29(5)6)48(78)67-39(25-30(7)8)49(79)66-37(23-28(3)4)47(77)63-35(18-15-21-60-52(57)58)45(75)69-41(31(9)10)50(80)64-33(16-12-13-19-53)43(73)62-34(17-14-20-59-51(55)56)44(74)68-40(26-70)42(54)72/h27-31,33-41,70H,12-26,53H2,1-11H3,(H2,54,72)(H,61,71)(H,62,73)(H,63,77)(H,64,80)(H,65,76)(H,66,79)(H,67,78)(H,68,74)(H,69,75)(H4,55,56,59)(H4,57,58,60)/t33-,34-,35-,36-,37-,38-,39-,40-,41-/m0/s1
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| InChIKey |
ZGODVVZVEMSZEQ-JBRKIFEHSA-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