General Information of the Compound
| Compound ID |
CP0382230
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| Compound Name |
(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(butanoylamino)-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]hexanamide
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| Synonyms |
Bu-RYYRIK-NH2
CHEMBL428076
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| Structure |
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| Formula |
C46H74N14O8
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| Molecular Weight |
951.188
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| Canonical SMILES |
CCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(N)=O
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| InChI |
InChI=1S/C46H74N14O8/c1-4-13-37(62)55-33(17-11-24-53-45(49)50)40(64)58-35(26-29-14-7-6-8-15-29)43(67)59-36(27-30-19-21-31(61)22-20-30)42(66)57-34(18-12-25-54-46(51)52)41(65)60-38(28(3)5-2)44(68)56-32(39(48)63)16-9-10-23-47/h6-8,14-15,19-22,28,32-36,38,61H,4-5,9-13,16-18,23-27,47H2,1-3H3,(H2,48,63)(H,55,62)(H,56,68)(H,57,66)(H,58,64)(H,59,67)(H,60,65)(H4,49,50,53)(H4,51,52,54)/t28-,32-,33-,34-,35-,36-,38-/m0/s1
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| InChIKey |
DPJOADTYQPSSOH-LWFLANIVSA-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