| CAS Number | 34233-50-6 |
| Catalog Number | AG00BYT0(AGN-PC-0WACG2) |
| Chemical Name | Angiotensin I/II (5-8) |
| IUPAC Name | (2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid |
| InChI | InChI=1S/C26H36N6O5/c1-3-16(2)22(27)24(34)30-19(13-18-14-28-15-29-18)25(35)32-11-7-10-21(32)23(33)31-20(26(36)37)12-17-8-5-4-6-9-17/h4-6,8-9,14-16,19-22H,3,7,10-13,27H2,1-2H3,(H,28,29)(H,30,34)(H,31,33)(H,36,37)/t16-,19-,20-,21-,22-/m0/s1 |
| InChI Key | RXGAHIIILDHXJU-XSXWSVAESA-N |
| MDL Number | MFCD00167499 |
| Molecular Formula | C26H36N6O5 |
| Molecular Weight | 512.6012 |
| SMILES | N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N1[C@@H](CCC1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O |
| Synonyms | Angiotensin I/II (5-8),
34233-50-6,
CTK1B7855,
Angiotensin (5-8),
Angiotensin-(5-8),
Angiotensin II(5-8),
DTXSID40430963,
MFCD00167499,
C20972,
L-Phenylalanine, N-[1-(N-L-isoleucyl-L-histidyl)-L-prolyl]-,
CID9806448,
CID 9806448,
|
| Complexity | 804 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 512.275g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 37 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 512.611g/mol |
| Monoisotopic Mass | 512.275g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 171A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number