General Information of the Compound
| Compound ID |
CP0573668
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| Compound Name |
(2S)-6-amino-N-[5-[[5-[[5-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentyl]amino]-5-oxopentyl]amino]-5-oxopentyl]-2-[[(2S,3R)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]hexanamide
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| Structure |
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| Formula |
C64H109N19O14
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| Molecular Weight |
1368.695
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CCCCNC(=O)CCCCNC(=O)CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)N[C@H](C(N)=O)C(C)(C)C
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| InChI |
InChI=1S/C64H109N19O14/c1-37(2)32-47(61(96)83-54(55(67)90)64(6,7)8)80-52(89)36-76-56(91)38(3)77-57(92)39(4)78-60(95)46(23-19-31-73-63(68)69)79-51(88)35-75-50(87)26-13-17-29-71-48(85)24-12-16-28-70-49(86)25-14-18-30-72-59(94)45(22-11-15-27-65)81-62(97)53(40(5)84)82-58(93)43(66)33-41-34-74-44-21-10-9-20-42(41)44/h9-10,20-21,34,37-40,43,45-47,53-54,74,84H,11-19,22-33,35-36,65-66H2,1-8H3,(H2,67,90)(H,70,86)(H,71,85)(H,72,94)(H,75,87)(H,76,91)(H,77,92)(H,78,95)(H,79,88)(H,80,89)(H,81,97)(H,82,93)(H,83,96)(H4,68,69,73)/t38-,39-,40+,43-,45-,46-,47-,53-,54+/m0/s1
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| InChIKey |
JJRWHVOXBKNTRP-GURUMXMVSA-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