General Information of the Compound
| Compound ID |
CP0434682
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| Compound Name |
(4S)-5-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[2-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5,5,5-trifluoro-1-oxo-4-(trifluoromethyl)pentan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]-5-oxopentanoic acid
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| Structure |
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| Formula |
C153H228F6N40O45
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| Molecular Weight |
3461.73
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C(F)(F)F)C(F)(F)F)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(N)=O
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| InChI |
InChI=1S/C153H228F6N40O45/c1-17-76(10)120(148(242)176-80(14)127(221)184-104(60-86-64-169-91-36-25-24-35-89(86)91)137(231)186-100(56-73(4)5)138(232)195-118(74(6)7)146(240)183-93(37-26-28-52-160)129(223)170-66-112(207)177-92(123(164)217)39-30-54-168-151(165)166)197-139(233)102(57-83-31-20-18-21-32-83)187-134(228)98(47-51-116(213)214)182-132(226)94(38-27-29-53-161)179-125(219)78(12)173-124(218)77(11)175-131(225)96(44-48-111(163)206)178-113(208)67-171-130(224)95(45-49-114(209)210)181-135(229)99(55-72(2)3)185-136(230)101(59-85-40-42-88(205)43-41-85)188-143(237)107(68-200)192-145(239)109(70-202)193-147(241)119(75(8)9)196-142(236)106(63-117(215)216)190-144(238)108(69-201)194-150(244)122(82(16)204)198-140(234)103(58-84-33-22-19-23-34-84)191-149(243)121(81(15)203)199-141(235)105(62-110(152(154,155)156)153(157,158)159)189-133(227)97(46-50-115(211)212)180-126(220)79(13)174-128(222)90(162)61-87-65-167-71-172-87/h18-25,31-36,40-43,64-65,71-82,90,92-110,118-122,169,200-205H,17,26-30,37-39,44-63,66-70,160-162H2,1-16H3,(H2,163,206)(H2,164,217)(H,167,172)(H,170,223)(H,171,224)(H,173,218)(H,174,222)(H,175,225)(H,176,242)(H,177,207)(H,178,208)(H,179,219)(H,180,220)(H,181,229)(H,182,226)(H,183,240)(H,184,221)(H,185,230)(H,186,231)(H,187,228)(H,188,237)(H,189,227)(H,190,238)(H,191,243)(H,192,239)(H,193,241)(H,194,244)(H,195,232)(H,196,236)(H,197,233)(H,198,234)(H,199,235)(H,209,210)(H,211,212)(H,213,214)(H,215,216)(H4,165,166,168)/t76-,77-,78-,79-,80-,81+,82+,90-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,118-,119-,120-,121-,122-/m0/s1
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| InChIKey |
ZUTBGXOOYSSRBU-XMVIYFJXSA-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