General Information of the Compound
| Compound ID |
CP0397354
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| Compound Name |
(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]acetyl]-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C47H83N17O11
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| Molecular Weight |
1062.289
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(N)=O
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| InChI |
InChI=1S/C47H83N17O11/c1-24(2)21-32(37(48)67)61-43(73)34-15-11-19-63(34)36(66)23-55-38(68)26(5)56-39(69)27(6)57-40(70)28(7)58-42(72)33(22-25(3)4)62-41(71)30(13-9-17-53-46(49)50)60-44(74)35-16-12-20-64(35)45(75)31(59-29(8)65)14-10-18-54-47(51)52/h24-28,30-35H,9-23H2,1-8H3,(H2,48,67)(H,55,68)(H,56,69)(H,57,70)(H,58,72)(H,59,65)(H,60,74)(H,61,73)(H,62,71)(H4,49,50,53)(H4,51,52,54)/t26-,27-,28-,30-,31-,32-,33-,34-,35-/m0/s1
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| InChIKey |
VUJRMUZVKNJMGQ-MYORVSQBSA-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