General Information of the Compound
| Compound ID |
CP0486811
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| Compound Name |
N-[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S,3S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]benzamide
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| Synonyms |
Bz--RYYRIK-NH2
CHEMBL257921
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| Structure |
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| Formula |
C49H72N14O8
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| Molecular Weight |
985.205
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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)c1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O
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| InChI |
InChI=1S/C49H72N14O8/c1-3-30(2)40(47(71)58-35(41(51)65)18-10-11-25-50)63-44(68)37(20-13-27-57-49(54)55)60-45(69)39(29-32-21-23-34(64)24-22-32)62-46(70)38(28-31-14-6-4-7-15-31)61-43(67)36(19-12-26-56-48(52)53)59-42(66)33-16-8-5-9-17-33/h4-9,14-17,21-24,30,35-40,64H,3,10-13,18-20,25-29,50H2,1-2H3,(H2,51,65)(H,58,71)(H,59,66)(H,60,69)(H,61,67)(H,62,70)(H,63,68)(H4,52,53,56)(H4,54,55,57)/t30-,35-,36-,37-,38-,39-,40-/m0/s1
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| InChIKey |
OBDOGETZOBOLDY-GCFINZEGSA-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