General Information of the Compound
| Compound ID |
CP0484908
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| Compound Name |
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-methylpentanamide
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| Structure |
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| Formula |
C42H68N16O8
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| Molecular Weight |
925.11
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
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| InChI |
InChI=1S/C42H68N16O8/c1-23(2)20-32(38(65)54-29(7-4-18-52-41(47)48)36(63)56-31(34(44)61)21-24-9-13-26(59)14-10-24)58-37(64)30(8-5-19-53-42(49)50)55-39(66)33(22-25-11-15-27(60)16-12-25)57-35(62)28(43)6-3-17-51-40(45)46/h9-16,23,28-33,59-60H,3-8,17-22,43H2,1-2H3,(H2,44,61)(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H4,45,46,51)(H4,47,48,52)(H4,49,50,53)/t28-,29-,30-,31-,32-,33-/m0/s1
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| InChIKey |
UQTCOSRFOINFNG-FSJACQRISA-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