General Information of the Compound
| Compound ID |
CP0530315
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| Compound Name |
(2S,3S)-N-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-(4-hydroxyphenyl)-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanamide
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| Structure |
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| Formula |
C39H67N11O9
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| Molecular Weight |
834.033
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCc1ccc(O)cc1)C(N)=O
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| InChI |
InChI=1S/C39H67N11O9/c1-7-23(6)32(50-37(58)30(18-22(4)5)48-34(55)26(40)20-51)38(59)45-19-31(53)46-28(9-8-16-44-39(42)43)35(56)49-29(17-21(2)3)36(57)47-27(33(41)54)15-12-24-10-13-25(52)14-11-24/h10-11,13-14,21-23,26-30,32,51-52H,7-9,12,15-20,40H2,1-6H3,(H2,41,54)(H,45,59)(H,46,53)(H,47,57)(H,48,55)(H,49,56)(H,50,58)(H4,42,43,44)/t23-,26-,27-,28-,29-,30-,32-/m0/s1
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| InChIKey |
FMQVIBNKWVRTPC-APYWWOEASA-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