| CAS Number | 252557-97-4 |
| Catalog Number | AG00BF6K(AGN-PC-0R103L) |
| Chemical Name | Z-Ile-Glu-Pro-Phe-Ome |
| IUPAC Name | 5-[2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]-4-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoic acid |
| InChI | InChI=1S/C34H44N4O9/c1-4-22(2)29(37-34(45)47-21-24-14-9-6-10-15-24)31(42)35-25(17-18-28(39)40)32(43)38-19-11-16-27(38)30(41)36-26(33(44)46-3)20-23-12-7-5-8-13-23/h5-10,12-15,22,25-27,29H,4,11,16-21H2,1-3H3,(H,35,42)(H,36,41)(H,37,45)(H,39,40) |
| InChI Key | NQFWNRFKRYMGAI-UHFFFAOYSA-N |
| MDL Number | MFCD28167838 |
| Molecular Formula | C34H44N4O9 |
| Molecular Weight | 652.7346 |
| SMILES | C1C=CC(C[C@H](NC([C@@H]2CCCN2C([C@@H](NC(=O)[C@@H](NC(=O)OCC2C=CC=CC=2)[C@@H](C)CC)CCC(=O)O)=O)=O)C(=O)OC)=CC=1 |
| Synonyms | 252557-97-4,
Z-Ile-Glu-Pro-Phe-Ome,
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| Complexity | 1070 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 652.311g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 47 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 652.745g/mol |
| Monoisotopic Mass | 652.311g/mol |
| Rotatable Bond Count | 18 |
| Topological Polar Surface Area | 180A^2 |
| Undefined Atom Stereocenter Count | 5 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number