General Information of the Compound
| Compound ID |
CP0497459
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| Compound Name |
(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
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| Structure |
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| Formula |
C41H82N20O8
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| Molecular Weight |
983.239
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| Canonical SMILES |
CC(C)C[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)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)N[C@@H](CCCN=C(N)N)C(O)=O
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| InChI |
InChI=1S/C41H82N20O8/c1-22(2)21-24(43)31(62)56-26(12-7-17-52-38(44)45)32(63)57-27(13-8-18-53-39(46)47)33(64)58-28(14-9-19-54-40(48)49)35(66)61-30(23(3)4)36(67)59-25(11-5-6-16-42)34(65)60-29(37(68)69)15-10-20-55-41(50)51/h22-30H,5-21,42-43H2,1-4H3,(H,56,62)(H,57,63)(H,58,64)(H,59,67)(H,60,65)(H,61,66)(H,68,69)(H4,44,45,52)(H4,46,47,53)(H4,48,49,54)(H4,50,51,55)/t24-,25-,26-,27-,28-,29-,30-/m0/s1
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| InChIKey |
MCRFONGIRQMEHT-FLMSMKGQSA-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