General Information of the Compound
| Compound ID |
CP0405167
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| Compound Name |
(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-(2-methylbutanoylamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanoyl]amino]-3-methylpentanoyl]amino]hexanamide
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| Synonyms |
CHEMBL270394
MeBut-RYYRIK-NH2
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| Structure |
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| Formula |
C47H76N14O8
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| Molecular Weight |
965.215
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)C(C)CC)C(=O)N[C@@H](CCCCN)C(N)=O
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| InChI |
InChI=1S/C47H76N14O8/c1-5-28(3)38(45(69)56-33(39(49)63)16-10-11-23-48)61-42(66)35(18-13-25-55-47(52)53)58-43(67)37(27-31-19-21-32(62)22-20-31)60-44(68)36(26-30-14-8-7-9-15-30)59-41(65)34(17-12-24-54-46(50)51)57-40(64)29(4)6-2/h7-9,14-15,19-22,28-29,33-38,62H,5-6,10-13,16-18,23-27,48H2,1-4H3,(H2,49,63)(H,56,69)(H,57,64)(H,58,67)(H,59,65)(H,60,68)(H,61,66)(H4,50,51,54)(H4,52,53,55)/t28-,29?,33-,34-,35-,36-,37-,38-/m0/s1
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| InChIKey |
XDTYNZLRQJEAAQ-QABIKYMTSA-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
Clinical Information about the Compound