| CAS Number | 816432-15-2 |
| Catalog Number | AG00G3QV(AGN-PC-0UKG6Y) |
| Chemical Name | CEP dipeptide 1 |
| IUPAC Name | 3-[1-[5-[(2-acetamidoacetyl)amino]-6-methoxy-6-oxohexyl]pyrrol-2-yl]propanoic acid |
| InChI | InChI=1S/C18H27N3O6/c1-13(22)19-12-16(23)20-15(18(26)27-2)7-3-4-10-21-11-5-6-14(21)8-9-17(24)25/h5-6,11,15H,3-4,7-10,12H2,1-2H3,(H,19,22)(H,20,23)(H,24,25) |
| InChI Key | VBZGZUAKQLIUCN-UHFFFAOYSA-N |
| MDL Number | MFCD29472223 |
| Molecular Formula | C18H27N3O6 |
| Molecular Weight | 381.4235 |
| SMILES | C1N(CCCC[C@H](NC(=O)CNC(=O)C)C(=O)OC)C(CCC(O)=O)=CC=1 |
| Synonyms | 816432-15-2,
SCHEMBL4737439,
CEP dipeptide 1,
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| Complexity | 525 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 381.19g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 381.429g/mol |
| Monoisotopic Mass | 381.19g/mol |
| Rotatable Bond Count | 13 |
| Topological Polar Surface Area | 127A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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