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Name | Angiotensin II, ala(8)- |
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Molecular formula | C44H67N13O12 |
IUPAC name | (3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[(2S)-2-[[(1S)-1-carboxyethyl]carbamoyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-oxobutanoic acid |
Molecular weight | 970.099 |
Hydrogen bond acceptor | 15 |
Hydrogen bond donor | 13 |
XlogP | -3.3 |
Synonyms | ANGIOTENSIN-II 8-Alanine-angiotensin II DTXSID20171221 18197-01-8 AC1NX8NJ [ Show all ] |
Inchi Key | CUKWUWBLQQDQAC-VEQWQPCFSA-N |
Inchi ID | InChI=1S/C44H67N13O12/c1-6-23(4)35(41(66)54-31(18-26-20-48-21-50-26)42(67)57-16-8-10-32(57)39(64)51-24(5)43(68)69)56-38(63)30(17-25-11-13-27(58)14-12-25)53-40(65)34(22(2)3)55-37(62)29(9-7-15-49-44(46)47)52-36(61)28(45)19-33(59)60/h11-14,20-24,28-32,34-35,58H,6-10,15-19,45H2,1-5H3,(H,48,50)(H,51,64)(H,52,61)(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,59,60)(H,68,69)(H4,46,47,49)/t23-,24-,28-,29-,30-,31-,32-,34-,35-/m0/s1 |
PubChem CID | 5748345 |
ChEMBL | CHEMBL2392353 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
50863 | Type-2 angiotensin II receptor | P50052 | AGTR2 | Homo sapiens (Human) | 363 |
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