| CAS Number | 913844-45-8 |
| Catalog Number | AG006N8J(AGN-PC-0WAHZL) |
| Chemical Name | (S)-2-Amino-1-(3-methyl-4-((4-methylisoquinolin-5-yl)sulfonyl)-1,4-diazepan-1-yl)ethanone dihydrochloride |
| IUPAC Name | 2-amino-1-[(3S)-3-methyl-4-(4-methylisoquinolin-5-yl)sulfonyl-1,4-diazepan-1-yl]ethanone;dihydrochloride |
| InChI | InChI=1S/C18H24N4O3S.2ClH/c1-13-10-20-11-15-5-3-6-16(18(13)15)26(24,25)22-8-4-7-21(12-14(22)2)17(23)9-19;;/h3,5-6,10-11,14H,4,7-9,12,19H2,1-2H3;2*1H/t14-;;/m0../s1 |
| InChI Key | ILDBNQGLZFSHQZ-UTLKBRERSA-N |
| MDL Number | MFCD09971082 |
| Molecular Formula | C18H24N4O3S |
| Molecular Weight | 376.4732 |
| SMILES | O=S(C1=CC=CC2=C1C(C)=CN=C2)(N3CCCN(C(CN)=O)C[C@@H]3C)=O |
| Synonyms | Glycyl-H 1152 dihydrochloride,
913844-45-8,
H-1152Glycyl, Dihydrochloride,
C18H24N4O3S.2HCl,
SCHEMBL1811640,
Glycyl H-1152 Dihydrochloride,
(S)-2-Amino-1-(3-methyl-4-((4-methylisoquinolin-5-yl)sulfonyl)-1,4-diazepan-1-yl)ethanone dihydrochloride,
BCP27782,
1779AH,
AKOS024457128,
ACN-025887,
(S)-(+)-4-GLYCYL-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINYL)SULFONYL]-HEXAHYDRO-1H-1,4-DIAZEPINE DIHYDROCHLORIDE,
(2S)-4-(Aminoacetyl)hexahydro -2-methyl-1-[(4-methyl-5-isoquinolinyl)sulfonyl]-1H-1,4-diazepine Dihydrochloride,
(S)-2-amino-1-(3-methyl-4-(4-methylisoquinolin-5-ylsulfonyl)-1,4-diazepan-1-yl)ethanone dihydrochloride,
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| Complexity | 606 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 448.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 449.391g/mol |
| Monoisotopic Mass | 448.11g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number