| CAS Number | 2064292-52-8 |
| Catalog Number | AG01ENI0(AGN-PC-3H45M3) |
| Chemical Name | (2S,4R)-1-((S)-17-amino-2-(tert-butyl)-4-oxo-6,9,12,15-tetraoxa-3-azaheptadecan-1-oyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamidehydrochloride |
| IUPAC Name | (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride |
| InChI | InChI=1S/C32H49N5O8S.ClH/c1-22-28(46-21-35-22)24-7-5-23(6-8-24)18-34-30(40)26-17-25(38)19-37(26)31(41)29(32(2,3)4)36-27(39)20-45-16-15-44-14-13-43-12-11-42-10-9-33;/h5-8,21,25-26,29,38H,9-20,33H2,1-4H3,(H,34,40)(H,36,39);1H/t25-,26+,29-;/m1./s1 |
| InChI Key | MSKHBFIXTCSMKP-DDLJGEAHSA-N |
| MDL Number | MFCD31656715 |
| Molecular Formula | C32H50ClN5O8S |
| Molecular Weight | 700.2861 |
| SMILES | O=C(N[C@@H](C(C)(C)C)C(N(C[C@H](O)C1)[C@@H]1C(NCC2=CC=C(C(SC=N3)=C3C)C=C2)=O)=O)COCCOCCOCCOCCN.Cl |
| Synonyms | E3 ligase Ligand-Linker Conjugates 7,
2064292-52-8,
VH 032 - linker 2,
AKOS034834081,
CS-7740,
HY-103604,
(2S,4R)-1-((S)-17-amino-2-(tert-butyl)-4-oxo-6,9,12,15-tetraoxa-3-azaheptadecan-1-oyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide hydrochloride,
(2S,4R)-1-((S)-17-amino-2-(tert-butyl)-4-oxo-6,9,12,15-tetraoxa-3-azaheptadecan-1-oyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamidehydrochloride,
|
| Complexity | 933 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 699.307g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 47 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 700.289g/mol |
| Monoisotopic Mass | 699.307g/mol |
| Rotatable Bond Count | 20 |
| Topological Polar Surface Area | 203A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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