General Information of the Compound
| Compound ID |
CP0457880
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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-(3,3-dimethylbutanoylamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanoyl]amino]-3-methylpentanoyl]amino]hexanamide
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| Synonyms |
CHEMBL270216
T-BuAc-RYYRIK-NH2
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| Structure |
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| Formula |
C48H78N14O8
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| Molecular Weight |
979.242
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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)(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
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| InChI |
InChI=1S/C48H78N14O8/c1-6-29(2)39(45(70)58-33(40(50)65)16-10-11-23-49)62-42(67)35(18-13-25-56-47(53)54)59-43(68)37(27-31-19-21-32(63)22-20-31)61-44(69)36(26-30-14-8-7-9-15-30)60-41(66)34(17-12-24-55-46(51)52)57-38(64)28-48(3,4)5/h7-9,14-15,19-22,29,33-37,39,63H,6,10-13,16-18,23-28,49H2,1-5H3,(H2,50,65)(H,57,64)(H,58,70)(H,59,68)(H,60,66)(H,61,69)(H,62,67)(H4,51,52,55)(H4,53,54,56)/t29-,33-,34-,35-,36-,37-,39-/m0/s1
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| InChIKey |
MBLODLLZWHUJED-INYUMPDKSA-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