General Information of the Compound
| Compound ID |
CP0212154
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| Compound Name |
(S)-2-((2S,3R)-2-((S)-2-((S)-1-((S)-2-((S)-2-azido-5-guanidinopentanamido)-5-guanidinopentanoyl)pyrrolidine-2-carboxamido)-3-(4-hydroxyphenyl)propanamido)-3-methylpentanamido)-4-methylpentanoic acid
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| Structure |
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| Formula |
C38H62N14O8
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| Molecular Weight |
843.004
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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@H](CCCN=C(N)N)N=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(O)=O
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| InChI |
InChI=1S/C38H62N14O8/c1-5-22(4)30(34(57)48-28(36(59)60)19-21(2)3)49-32(55)27(20-23-12-14-24(53)15-13-23)47-33(56)29-11-8-18-52(29)35(58)26(10-7-17-45-38(41)42)46-31(54)25(50-51-43)9-6-16-44-37(39)40/h12-15,21-22,25-30,53H,5-11,16-20H2,1-4H3,(H,46,54)(H,47,56)(H,48,57)(H,49,55)(H,59,60)(H4,39,40,44)(H4,41,42,45)/t22-,25+,26+,27+,28+,29+,30+/m1/s1
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| InChIKey |
HLSORHLOWZGVQE-CSJNAZMVSA-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