General Information of the Compound
| Compound ID |
CP0424705
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| Compound Name |
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]propanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanamide
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| Formula |
C61H100N22O14
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| Molecular Weight |
1365.611
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| Canonical SMILES |
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O
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| InChI |
InChI=1S/C61H100N22O14/c1-34(75-47(86)33-74-59(97)49(37(4)84)83-58(96)45(30-39-19-9-6-10-20-39)78-48(87)32-72-46(85)31-73-54(92)40(64)29-38-17-7-5-8-18-38)52(90)80-44(24-16-28-71-61(68)69)57(95)82-42(22-12-14-26-63)55(93)77-35(2)51(89)76-36(3)53(91)81-43(23-15-27-70-60(66)67)56(94)79-41(50(65)88)21-11-13-25-62/h5-10,17-20,34-37,40-45,49,84H,11-16,21-33,62-64H2,1-4H3,(H2,65,88)(H,72,85)(H,73,92)(H,74,97)(H,75,86)(H,76,89)(H,77,93)(H,78,87)(H,79,94)(H,80,90)(H,81,91)(H,82,95)(H,83,96)(H4,66,67,70)(H4,68,69,71)/t34-,35-,36-,37+,40-,41-,42-,43-,44-,45-,49-/m0/s1
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| InChIKey |
VYFLBBXRHBEKOZ-GFVABUGYSA-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