General Information of the Compound
| Compound ID |
CP0452517
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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)-6-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid
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| Synonyms |
FGGFTRKRKSARKLANQ
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| Structure |
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| Formula |
C86H145N31O22
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| Molecular Weight |
1965.301
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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](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=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](C)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/C86H145N31O22/c1-46(2)39-60(78(133)104-48(4)70(125)114-62(42-65(92)121)79(134)113-59(83(138)139)31-32-64(91)120)115-76(131)54(26-13-16-34-88)109-73(128)56(28-18-36-99-84(93)94)107-69(124)47(3)105-81(136)63(45-118)116-77(132)55(27-14-17-35-89)110-74(129)57(29-19-37-100-85(95)96)111-72(127)53(25-12-15-33-87)108-75(130)58(30-20-38-101-86(97)98)112-82(137)68(49(5)119)117-80(135)61(41-51-23-10-7-11-24-51)106-67(123)44-102-66(122)43-103-71(126)52(90)40-50-21-8-6-9-22-50/h6-11,21-24,46-49,52-63,68,118-119H,12-20,25-45,87-90H2,1-5H3,(H2,91,120)(H2,92,121)(H,102,122)(H,103,126)(H,104,133)(H,105,136)(H,106,123)(H,107,124)(H,108,130)(H,109,128)(H,110,129)(H,111,127)(H,112,137)(H,113,134)(H,114,125)(H,115,131)(H,116,132)(H,117,135)(H,138,139)(H4,93,94,99)(H4,95,96,100)(H4,97,98,101)/t47-,48-,49+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,68-/m0/s1
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| InChIKey |
SNTZLYOXEWYFBE-UTPVZXCMSA-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