General Information of the Compound
| Compound ID |
CP0424704
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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]-3-hydroxypropanoyl]amino]propanoyl]amino]propanoyl]amino]hexanamide
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| Structure |
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| Formula |
C58H93N19O15
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| Molecular Weight |
1296.5
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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](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(N)=O
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| InChI |
InChI=1S/C58H93N19O15/c1-32(69-45(81)30-68-57(92)47(35(4)79)77-55(90)42(27-37-18-9-6-10-19-37)72-46(82)29-66-44(80)28-67-52(87)38(61)26-36-16-7-5-8-17-36)50(85)74-41(22-15-25-65-58(63)64)53(88)75-40(21-12-14-24-60)54(89)76-43(31-78)56(91)71-33(2)49(84)70-34(3)51(86)73-39(48(62)83)20-11-13-23-59/h5-10,16-19,32-35,38-43,47,78-79H,11-15,20-31,59-61H2,1-4H3,(H2,62,83)(H,66,80)(H,67,87)(H,68,92)(H,69,81)(H,70,84)(H,71,91)(H,72,82)(H,73,86)(H,74,85)(H,75,88)(H,76,89)(H,77,90)(H4,63,64,65)/t32-,33-,34-,35+,38-,39-,40-,41-,42-,43-,47-/m0/s1
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| InChIKey |
SUQUHXVJQOLBEL-PAPOMEPOSA-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