General Information of the Compound
| Compound ID |
CP0577370
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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)-3-amino-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]propanoyl]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 |
C60H99N23O15
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| Molecular Weight |
1382.598
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| Canonical SMILES |
C[C@H](NC(=O)CNC(=O)[C@H](CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)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/C60H99N23O15/c1-33(75-47(87)31-74-53(93)44(28-63)82-57(97)43(27-35-12-4-3-5-13-35)77-48(88)30-72-46(86)29-73-52(92)38(64)26-36-18-20-37(85)21-19-36)50(90)79-42(17-11-25-71-60(68)69)55(95)81-40(15-7-9-23-62)56(96)83-45(32-84)58(98)76-34(2)51(91)80-41(16-10-24-70-59(66)67)54(94)78-39(49(65)89)14-6-8-22-61/h3-5,12-13,18-21,33-34,38-45,84-85H,6-11,14-17,22-32,61-64H2,1-2H3,(H2,65,89)(H,72,86)(H,73,92)(H,74,93)(H,75,87)(H,76,98)(H,77,88)(H,78,94)(H,79,90)(H,80,91)(H,81,95)(H,82,97)(H,83,96)(H4,66,67,70)(H4,68,69,71)/t33-,34-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1
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| InChIKey |
YOVLIEJMNHLASG-IMFRXTJUSA-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