General Information of the Compound
| Compound ID |
CP0440965
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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-(propanoylamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanoyl]amino]-3-methylpentanoyl]amino]hexanamide
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| Synonyms |
CHEMBL403807
Pr-RYYRIK-NH2
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| Structure |
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| Formula |
C45H72N14O8
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| Molecular Weight |
937.161
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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)CC)C(=O)N[C@@H](CCCCN)C(N)=O
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| InChI |
InChI=1S/C45H72N14O8/c1-4-27(3)37(43(67)55-31(38(47)62)15-9-10-22-46)59-40(64)33(17-12-24-53-45(50)51)56-41(65)35(26-29-18-20-30(60)21-19-29)58-42(66)34(25-28-13-7-6-8-14-28)57-39(63)32(54-36(61)5-2)16-11-23-52-44(48)49/h6-8,13-14,18-21,27,31-35,37,60H,4-5,9-12,15-17,22-26,46H2,1-3H3,(H2,47,62)(H,54,61)(H,55,67)(H,56,65)(H,57,63)(H,58,66)(H,59,64)(H4,48,49,52)(H4,50,51,53)/t27-,31-,32-,33-,34-,35-,37-/m0/s1
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| InChIKey |
DWZCXYUZSXSRCU-OQYWAUBWSA-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