General Information of the Compound
| Compound ID |
CP0484330
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| Compound Name |
(2S)-1-[(2S)-2-[[(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-aminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C54H101N17O10
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| Molecular Weight |
1148.511
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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)N1CCC[C@H]1C(N)=O
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| InChI |
InChI=1S/C54H101N17O10/c1-29(2)25-38(63-34(11)72)47(76)67-40(27-31(5)6)49(78)69-41(28-32(7)8)50(79)68-39(26-30(3)4)48(77)64-36(18-14-22-61-53(57)58)46(75)70-43(33(9)10)51(80)65-35(17-12-13-21-55)45(74)66-37(19-15-23-62-54(59)60)52(81)71-24-16-20-42(71)44(56)73/h29-33,35-43H,12-28,55H2,1-11H3,(H2,56,73)(H,63,72)(H,64,77)(H,65,80)(H,66,74)(H,67,76)(H,68,79)(H,69,78)(H,70,75)(H4,57,58,61)(H4,59,60,62)/t35-,36-,37-,38-,39-,40-,41-,42-,43-/m0/s1
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| InChIKey |
ZUSUFNALANSLQL-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
Protein ID: PT01387, Furin
Protein ID: PT04551, Proprotein convertase subtilisin/kexin type 6