General Information of the Compound
| Compound ID |
CP0451213
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| Compound Name |
(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid
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| Structure |
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| Formula |
C42H73N13O9
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| Molecular Weight |
904.128
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC)C(C)C)[C@@H](C)CC)C(C)C)C(O)=O
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| InChI |
InChI=1S/C42H73N13O9/c1-10-24(7)33(53-38(60)32(23(5)6)51-35(57)27(49-30(56)20-45-9)14-12-16-47-42(43)44)39(61)52-31(22(3)4)37(59)50-28(18-26-19-46-21-48-26)40(62)55-17-13-15-29(55)36(58)54-34(41(63)64)25(8)11-2/h19,21-25,27-29,31-34,45H,10-18,20H2,1-9H3,(H,46,48)(H,49,56)(H,50,59)(H,51,57)(H,52,61)(H,53,60)(H,54,58)(H,63,64)(H4,43,44,47)/t24-,25-,27-,28-,29-,31-,32-,33-,34-/m0/s1
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| InChIKey |
FMJHTHOTFZJMNT-SUUXYXAXSA-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