General Information of the Compound
| Compound ID |
CP0379403
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| Compound Name |
(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-(2-methylpropanoylamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanoyl]amino]-3-methylpentanoyl]amino]hexanamide
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| Structure |
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| Formula |
C46H74N14O9
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| Molecular Weight |
967.187
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
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| InChI |
InChI=1S/C46H74N14O9/c1-5-27(4)37(44(69)55-32(38(48)63)10-6-7-21-47)60-41(66)34(12-9-23-54-46(51)52)57-42(67)35(24-28-13-17-30(61)18-14-28)59-43(68)36(25-29-15-19-31(62)20-16-29)58-40(65)33(56-39(64)26(2)3)11-8-22-53-45(49)50/h13-20,26-27,32-37,61-62H,5-12,21-25,47H2,1-4H3,(H2,48,63)(H,55,69)(H,56,64)(H,57,67)(H,58,65)(H,59,68)(H,60,66)(H4,49,50,53)(H4,51,52,54)/t27-,32-,33-,34-,35-,36-,37-/m0/s1
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| InChIKey |
CVIFIZRDPAGGBL-YNEYNXGLSA-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