General Information of the Compound
| Compound ID |
CP0414899
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| Compound Name |
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S,3S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanediamide
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| Structure |
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| Formula |
C75H130N26O22S
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| Molecular Weight |
1780.092
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCSC)C(N)=O
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| InChI |
InChI=1S/C75H130N26O22S/c1-14-37(8)58(73(122)98-49(26-36(6)7)72(121)101-59(41(12)103)74(123)92-44(60(80)109)21-23-124-13)100-57(108)31-85-61(110)38(9)88-62(111)39(10)90-68(117)50(27-42-29-83-33-87-42)97-71(120)51(28-55(79)106)91-56(107)30-86-65(114)52(32-102)99-63(112)40(11)89-66(115)46(18-20-54(78)105)94-69(118)47(24-34(2)3)96-70(119)48(25-35(4)5)95-67(116)45(16-15-22-84-75(81)82)93-64(113)43(76)17-19-53(77)104/h29,33-41,43-52,58-59,102-103H,14-28,30-32,76H2,1-13H3,(H2,77,104)(H2,78,105)(H2,79,106)(H2,80,109)(H,83,87)(H,85,110)(H,86,114)(H,88,111)(H,89,115)(H,90,117)(H,91,107)(H,92,123)(H,93,113)(H,94,118)(H,95,116)(H,96,119)(H,97,120)(H,98,122)(H,99,112)(H,100,108)(H,101,121)(H4,81,82,84)/t37-,38-,39-,40-,41+,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,58-,59-/m0/s1
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| InChIKey |
QUUQNEVFWRBORU-QOKQGHRYSA-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