| CAS Number | 147857-42-9 |
| Catalog Number | AG00HXLD(AGN-PC-0Q0YRR) |
| Chemical Name | (H-Hocys-ome)2 2hcl |
| IUPAC Name | methyl (2S)-2-amino-4-[[(3S)-3-amino-4-methoxy-4-oxobutyl]disulfanyl]butanoate;dihydrochloride |
| InChI | InChI=1S/C10H20N2O4S2.2ClH/c1-15-9(13)7(11)3-5-17-18-6-4-8(12)10(14)16-2;;/h7-8H,3-6,11-12H2,1-2H3;2*1H/t7-,8-;;/m0../s1 |
| InChI Key | MONLWIYLANNRGT-FOMWZSOGSA-N |
| MDL Number | MFCD06795760 |
| Molecular Formula | C33H33N5O2S |
| Molecular Weight | 563.7124 |
| SMILES | CCNc1cc2c(cc1C)C3(c4c(cc(NCC)c(C)c4)O2)c5c(cccc5)C(=O)N3NC(=S)Nc6ccccc6 |
| Synonyms | (H-HOCYS-OME)2 2HCL,
147857-42-9,
(H-HoCys-OMe)2 dihydrochloride,
KM5628,
MFCD06795760,
(2S,?2'S)?-?dimethyl 4,?4'-?disulfanediylbis(2-?aminobutanoate) dihydrochloride,
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| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 368.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 369.316g/mol |
| Monoisotopic Mass | 368.04g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 155A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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