General Information of the Compound
| Compound ID |
CP0339683
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| Compound Name |
(S)-2-((S)-2-((S)-2-((S)-1-((S)-2-((S)-7-amino-3-(methylamino)heptanamido)-5-guanidinopentanoyl)pyrrolidine-2-carboxamido)-3-(4-hydroxyphenyl)propanamido)-3,3-dimethylbutanamido)-4-methylpentanoic acid
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| Structure |
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| Formula |
C40H68N10O8
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| Molecular Weight |
817.046
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| Canonical SMILES |
CN[C@@H](CCCCN)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(O)=O)C(C)(C)C
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| InChI |
InChI=1S/C40H68N10O8/c1-24(2)21-30(38(57)58)48-36(55)33(40(3,4)5)49-34(53)29(22-25-14-16-27(51)17-15-25)47-35(54)31-13-10-20-50(31)37(56)28(12-9-19-45-39(42)43)46-32(52)23-26(44-6)11-7-8-18-41/h14-17,24,26,28-31,33,44,51H,7-13,18-23,41H2,1-6H3,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H,57,58)(H4,42,43,45)/t26-,28-,29-,30-,31-,33+/m0/s1
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| InChIKey |
UXEUYPRXIGVTPE-CPCHQZNXSA-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