General Information of the Compound
| Compound ID |
CP0403871
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| Compound Name |
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[2-(2-amino-2-oxoethyl)-2-[3-(diaminomethylideneamino)propyl]hydrazinyl]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide
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| Structure |
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| Formula |
C49H95N17O9
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| Molecular Weight |
1066.409
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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](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NN(CCCN=C(N)N)CC(N)=O
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| InChI |
InChI=1S/C49H95N17O9/c1-27(2)22-35(58-32(11)67)42(70)61-37(24-29(5)6)44(72)63-38(25-30(7)8)45(73)62-36(23-28(3)4)43(71)59-33(17-14-19-56-48(52)53)41(69)64-40(31(9)10)47(75)60-34(16-12-13-18-50)46(74)65-66(26-39(51)68)21-15-20-57-49(54)55/h27-31,33-38,40H,12-26,50H2,1-11H3,(H2,51,68)(H,58,67)(H,59,71)(H,60,75)(H,61,70)(H,62,73)(H,63,72)(H,64,69)(H,65,74)(H4,52,53,56)(H4,54,55,57)/t33-,34-,35-,36-,37-,38-,40-/m0/s1
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| InChIKey |
ZZCZYODHDZJCGC-OWKUVMJRSA-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
Protein ID: PT01387, Furin
Protein ID: PT04551, Proprotein convertase subtilisin/kexin type 6