General Information of the Compound
| Compound ID |
CP0549725
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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)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]butanoyl]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 |
C61H100N22O15
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| Molecular Weight |
1381.61
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| Canonical SMILES |
CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)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](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O
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| InChI |
InChI=1S/C61H100N22O15/c1-4-40(78-58(97)45(29-36-14-6-5-7-15-36)77-49(88)31-72-47(86)30-73-53(92)39(64)28-37-20-22-38(85)23-21-37)54(93)74-32-48(87)75-34(2)51(90)80-44(19-13-27-71-61(68)69)56(95)82-42(17-9-11-25-63)57(96)83-46(33-84)59(98)76-35(3)52(91)81-43(18-12-26-70-60(66)67)55(94)79-41(50(65)89)16-8-10-24-62/h5-7,14-15,20-23,34-35,39-46,84-85H,4,8-13,16-19,24-33,62-64H2,1-3H3,(H2,65,89)(H,72,86)(H,73,92)(H,74,93)(H,75,87)(H,76,98)(H,77,88)(H,78,97)(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-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1
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| InChIKey |
CNAWDOAFZSAELL-LRHNFOCQSA-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