General Information of the Compound
| Compound ID |
CP0445504
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| Compound Name |
(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[2-[[(2S)-2,6-diaminohexanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid
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| Structure |
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| Formula |
C40H57N7O8
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| Molecular Weight |
763.937
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| Canonical SMILES |
CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(O)=O
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| InChI |
InChI=1S/C40H57N7O8/c1-2-3-14-31(44-37(50)33-15-9-22-46(33)35(48)25-43-36(49)30(42)13-7-8-21-41)39(52)47-23-10-16-34(47)38(51)45-32(40(53)54)24-27-17-19-29(20-18-27)55-26-28-11-5-4-6-12-28/h4-6,11-12,17-20,30-34H,2-3,7-10,13-16,21-26,41-42H2,1H3,(H,43,49)(H,44,50)(H,45,51)(H,53,54)/t30-,31-,32-,33-,34-/m0/s1
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| InChIKey |
UQWFKBAOMZECOP-LJADHVKFSA-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