General Information of the Compound
| Compound ID |
CP0555058
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| Compound Name |
(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
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| Structure |
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| Formula |
C41H62N6O8
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| Molecular Weight |
766.981
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| Canonical SMILES |
CC(C)C[C@@H](NC(=O)[C@H](CCCCN)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
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| InChI |
InChI=1S/C41H62N6O8/c1-26(2)22-31(43-35(48)30(20-14-15-21-42)47-40(54)55-41(5,6)7)36(49)45-33(24-28-16-10-8-11-17-28)38(51)44-32(23-27(3)4)37(50)46-34(39(52)53)25-29-18-12-9-13-19-29/h8-13,16-19,26-27,30-34H,14-15,20-25,42H2,1-7H3,(H,43,48)(H,44,51)(H,45,49)(H,46,50)(H,47,54)(H,52,53)/t30-,31+,32+,33-,34-/m0/s1
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| InChIKey |
VYZYDTYKDXCTRT-PAISCNLLSA-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