General Information of the Compound
| Compound ID |
CP0447730
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| Compound Name |
(2S)-2-[[2-[(4S)-4-[[(2S,3S)-2-[[(2S)-2-[[(3R)-3-aminoheptanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl]acetyl]amino]-3-phenylpropanoic acid
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| Structure |
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| Formula |
C43H56N6O8
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| Molecular Weight |
784.955
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| Canonical SMILES |
CCCC[C@@H](N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)N[C@@H](Cc2ccccc2)C(O)=O)C1=O
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| InChI |
InChI=1S/C43H56N6O8/c1-4-6-16-32(44)24-37(51)45-34(21-29-17-19-33(50)20-18-29)40(53)48-39(27(3)5-2)41(54)47-35-23-30-14-10-11-15-31(30)25-49(42(35)55)26-38(52)46-36(43(56)57)22-28-12-8-7-9-13-28/h7-15,17-20,27,32,34-36,39,50H,4-6,16,21-26,44H2,1-3H3,(H,45,51)(H,46,52)(H,47,54)(H,48,53)(H,56,57)/t27-,32+,34-,35-,36-,39-/m0/s1
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| InChIKey |
LABMEDHNXNWFBJ-ZFSWLMJESA-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
Protein ID: PT01820, Aminopeptidase N
Protein ID: PT05116, Leucyl-cystinyl aminopeptidase