General Information of the Compound
| Compound ID |
CP0272509
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| Compound Name |
(S)-2-((2S,3R)-2-((S)-2-((S)-1-((S)-2-((S)-2-amino-5-guanidino-2-methylpentanamido)-5-guanidinopentanoyl)pyrrolidine-2-carboxamido)-3-(4-hydroxyphenyl)propanamido)-3-methylpentanamido)-4-methylpentanoic acid
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| Structure |
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| Formula |
C39H66N12O8
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| Molecular Weight |
831.033
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| Canonical SMILES |
CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@](C)(N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(O)=O
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| InChI |
InChI=1S/C39H66N12O8/c1-6-23(4)30(33(55)48-28(35(57)58)20-22(2)3)50-31(53)27(21-24-12-14-25(52)15-13-24)47-32(54)29-11-8-19-51(29)34(56)26(10-7-17-45-37(40)41)49-36(59)39(5,44)16-9-18-46-38(42)43/h12-15,22-23,26-30,52H,6-11,16-21,44H2,1-5H3,(H,47,54)(H,48,55)(H,49,59)(H,50,53)(H,57,58)(H4,40,41,45)(H4,42,43,46)/t23-,26+,27+,28+,29+,30+,39+/m1/s1
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| InChIKey |
FYTRFSIZPLTNQE-UENKEETCSA-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