General Information of the Compound
| Compound ID |
CP0396515
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| Compound Name |
(2S)-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-methylbutanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
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| Structure |
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| Formula |
C39H78N16O9
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| Molecular Weight |
915.156
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| Canonical SMILES |
CC(C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]([C@@H](C)O)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/C39H78N16O9/c1-22(2)29(43)35(61)52-25(13-5-8-18-41)32(58)50-24(12-4-7-17-40)31(57)51-27(15-10-20-48-38(44)45)34(60)55-30(23(3)56)36(62)53-26(14-6-9-19-42)33(59)54-28(37(63)64)16-11-21-49-39(46)47/h22-30,56H,4-21,40-43H2,1-3H3,(H,50,58)(H,51,57)(H,52,61)(H,53,62)(H,54,59)(H,55,60)(H,63,64)(H4,44,45,48)(H4,46,47,49)/t23-,24+,25+,26+,27+,28+,29+,30+/m1/s1
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| InChIKey |
BKXZMXDOQRUKBY-DFXDLVLWSA-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