General Information of the Compound
| Compound ID |
CP0036566
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| Compound Name |
5-L-isoleucineangiotensin II
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| Synonyms |
1-8-Angiotensin I
4474-91-3
5-Isoleucine-angiotensin II
5-L-Isoleucineangiotensin II
ANGIOTENSIN II
Ang II
Angiotensin II (human)
Angiotensin II (mouse)
Angiotensin II human
Angiotensin II, ile(5)-
Angiotensin ii [INN:JAN]
Giapreza
Human angiotensin II
Ile(5)-angiotensin II
Isoleucine5-angiotensin II
isoleucine(5)-angiotensin II;Angiotensin II, human
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| Structure |
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| Formula |
C50H71N13O12
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| Molecular Weight |
1046.197
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
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| InChI |
InChI=1S/C50H71N13O12/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55)/t28-,33-,34-,35-,36-,37-,38-,40-,41-/m0/s1
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| InChIKey |
CZGUSIXMZVURDU-JZXHSEFVSA-N
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| CAS |
11128-99-7
1407-47-2
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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: PT01197, Type-1 angiotensin II receptor
Protein ID: PT04214, Type-1 angiotensin II receptor A
Protein ID: PT01553, Type-2 angiotensin II receptor
Clinical Information about the Compound