General Information of the Compound
| Compound ID |
CP0537533
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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-[[(2R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoyl]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 |
C62H102N22O15
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| Molecular Weight |
1395.637
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| Canonical SMILES |
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=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](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O
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| InChI |
InChI=1S/C62H102N22O15/c1-34(76-54(93)40(65)29-38-17-7-5-8-18-38)51(90)73-32-48(88)78-45(30-39-19-9-6-10-20-39)58(97)84-49(37(4)86)60(99)74-31-47(87)75-35(2)52(91)80-44(24-16-28-72-62(69)70)56(95)82-42(22-12-14-26-64)57(96)83-46(33-85)59(98)77-36(3)53(92)81-43(23-15-27-71-61(67)68)55(94)79-41(50(66)89)21-11-13-25-63/h5-10,17-20,34-37,40-46,49,85-86H,11-16,21-33,63-65H2,1-4H3,(H2,66,89)(H,73,90)(H,74,99)(H,75,87)(H,76,93)(H,77,98)(H,78,88)(H,79,94)(H,80,91)(H,81,92)(H,82,95)(H,83,96)(H,84,97)(H4,67,68,71)(H4,69,70,72)/t34-,35+,36+,37-,40+,41+,42+,43+,44+,45+,46+,49+/m1/s1
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| InChIKey |
UUCKKZYJRSSGRF-FUTXEUEZSA-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