| CAS Number | 1093192-06-3 |
| Catalog Number | AG00HBFE(AGN-PC-0WG370) |
| Chemical Name | (S)-METHYL 3-(TERT-BUTOXYCARBONYLAMINO)-3-METHYL-2-((S)-1-PHENYLETHYLAMINO)BUTANOATE |
| IUPAC Name | methyl (2S)-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(1S)-1-phenylethyl]amino]butanoate |
| InChI | InChI=1S/C19H30N2O4/c1-13(14-11-9-8-10-12-14)20-15(16(22)24-7)19(5,6)21-17(23)25-18(2,3)4/h8-13,15,20H,1-7H3,(H,21,23)/t13-,15+/m0/s1 |
| InChI Key | ANRULRPIGXTOCP-DZGCQCFKSA-N |
| MDL Number | MFCD27992079 |
| Molecular Formula | C19H30N2O4 |
| Molecular Weight | 350.4525 |
| SMILES | COC(=O)[C@@H](N[C@@H](C)C1=CC=CC=C1)C(C)(C)NC(=O)OC(C)(C)C |
| Synonyms | 1093192-06-3,
(S)-methyl 3-(tert-butoxycarbonylamino)-3-methyl-2-((S)-1-phenylethylamino)butanoate,
(S)-Methyl 3-((tert-butoxycarbonyl)amino)-3-methyl-2-(((S)-1-phenylethyl)amino)butanoate,
SCHEMBL3020275,
KS-00000TFR,
MFCD27992079,
SC5014,
ZINC97758797,
AKOS027253508,
DS-10323,
(S)-Methyl 3-(t-butoxycarbonylamino)-3-methyl-2-((S)-1-phenylethylamino)butanoate,
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| Complexity | 451 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 350.221g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 350.459g/mol |
| Monoisotopic Mass | 350.221g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 76.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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