General Information of the Compound
| Compound ID |
CP0194278
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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-phenylpropyl]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]-5-(diaminomethylideneamino)pentanoyl]amino]hexanamide
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| Structure |
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| Formula |
C61H102N22O14
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| Molecular Weight |
1367.627
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| Canonical SMILES |
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(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](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O
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| InChI |
InChI=1S/C61H102N22O14/c1-35(75-48(87)33-74-59(97)50(37(3)85)83-57(95)45(29-39-18-8-5-9-19-39)77-49(88)32-73-47(86)31-70-30-40(64)28-38-16-6-4-7-17-38)52(90)79-44(23-15-27-72-61(68)69)55(93)81-42(21-11-13-25-63)56(94)82-46(34-84)58(96)76-36(2)53(91)80-43(22-14-26-71-60(66)67)54(92)78-41(51(65)89)20-10-12-24-62/h4-9,16-19,35-37,40-46,50,70,84-85H,10-15,20-34,62-64H2,1-3H3,(H2,65,89)(H,73,86)(H,74,97)(H,75,87)(H,76,96)(H,77,88)(H,78,92)(H,79,90)(H,80,91)(H,81,93)(H,82,94)(H,83,95)(H4,66,67,71)(H4,68,69,72)/t35-,36-,37+,40-,41-,42-,43-,44-,45-,46-,50-/m0/s1
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| InChIKey |
ZHKMSRDIVOXQKP-YILJZHMHSA-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