General Information of the Compound
| Compound ID |
CP0201357
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| Compound Name |
(S)-4-[(S)-2-((S)-2-Acetylamino-3,3-diphenyl-propionylamino)-4-methyl-pentanoylamino]-4-((1S,2S)-1-{(1S,2S)-1-[(S)-1-carboxy-2-(1H-indol-3-yl)-ethylcarbamoyl]-2-methyl-butylcarbamoyl}-2-methyl-butylcarbamoyl)-butyric acid
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| Structure |
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| Formula |
C51H67N7O10
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| Molecular Weight |
938.136
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
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| InChI |
InChI=1S/C51H67N7O10/c1-8-30(5)43(48(64)56-40(51(67)68)27-35-28-52-37-23-17-16-22-36(35)37)58-49(65)44(31(6)9-2)57-46(62)38(24-25-41(60)61)54-47(63)39(26-29(3)4)55-50(66)45(53-32(7)59)42(33-18-12-10-13-19-33)34-20-14-11-15-21-34/h10-23,28-31,38-40,42-45,52H,8-9,24-27H2,1-7H3,(H,53,59)(H,54,63)(H,55,66)(H,56,64)(H,57,62)(H,58,65)(H,60,61)(H,67,68)/t30-,31-,38-,39-,40-,43-,44-,45-/m0/s1
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| InChIKey |
WXIDXBSXUCQMKX-KUIIPSLPSA-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