General Information of the Compound
| Compound ID |
CP0375002
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| Compound Name |
(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(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-phenylpropanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid
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| Synonyms |
FGGFTGARKSARKLWNQ
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| Structure |
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| Formula |
C87H134N28O22
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| Molecular Weight |
1924.203
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
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| InChI |
InChI=1S/C87H134N28O22/c1-46(2)36-61(79(130)112-63(39-52-41-99-55-25-13-12-24-53(52)55)80(131)113-64(40-67(92)119)81(132)110-60(85(136)137)30-31-66(91)118)111-77(128)56(26-14-16-32-88)108-76(127)59(29-19-35-98-87(95)96)107-73(124)48(4)104-83(134)65(45-116)114-78(129)57(27-15-17-33-89)109-75(126)58(28-18-34-97-86(93)94)106-72(123)47(3)103-69(121)44-102-84(135)71(49(5)117)115-82(133)62(38-51-22-10-7-11-23-51)105-70(122)43-100-68(120)42-101-74(125)54(90)37-50-20-8-6-9-21-50/h6-13,20-25,41,46-49,54,56-65,71,99,116-117H,14-19,26-40,42-45,88-90H2,1-5H3,(H2,91,118)(H2,92,119)(H,100,120)(H,101,125)(H,102,135)(H,103,121)(H,104,134)(H,105,122)(H,106,123)(H,107,124)(H,108,127)(H,109,126)(H,110,132)(H,111,128)(H,112,130)(H,113,131)(H,114,129)(H,115,133)(H,136,137)(H4,93,94,97)(H4,95,96,98)/t47-,48-,49+,54-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,71-/m0/s1
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| InChIKey |
IXCVHRQJQPARCV-PBUARHPHSA-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
Clinical Information about the Compound