General Information of the Compound
| Compound ID |
CP0386801
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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-(propanoylamino)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 |
C45H72N14O9
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| Molecular Weight |
953.16
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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)CC)C(=O)N[C@@H](CCCCN)C(N)=O
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| InChI |
InChI=1S/C45H72N14O9/c1-4-26(3)37(43(68)55-31(38(47)63)10-6-7-21-46)59-40(65)33(12-9-23-53-45(50)51)56-41(66)34(24-27-13-17-29(60)18-14-27)58-42(67)35(25-28-15-19-30(61)20-16-28)57-39(64)32(54-36(62)5-2)11-8-22-52-44(48)49/h13-20,26,31-35,37,60-61H,4-12,21-25,46H2,1-3H3,(H2,47,63)(H,54,62)(H,55,68)(H,56,66)(H,57,64)(H,58,67)(H,59,65)(H4,48,49,52)(H4,50,51,53)/t26-,31-,32-,33-,34-,35-,37-/m0/s1
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| InChIKey |
ZIFPDFJLCODQOJ-GXMFGVCRSA-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