| CAS Number | 58810-11-0 |
| Catalog Number | AG00EB30(AGN-PC-0SQOZ9) |
| Chemical Name | Z-Arg(Mbs)-OH DCHA |
| IUPAC Name | (2S)-5-[[amino-[(4-methoxyphenyl)sulfonylamino]methylidene]amino]-2-(phenylmethoxycarbonylamino)pentanoic acid;N-cyclohexylcyclohexanamine |
| InChI | InChI=1S/C21H26N4O7S.C12H23N/c1-31-16-9-11-17(12-10-16)33(29,30)25-20(22)23-13-5-8-18(19(26)27)24-21(28)32-14-15-6-3-2-4-7-15;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h2-4,6-7,9-12,18H,5,8,13-14H2,1H3,(H,24,28)(H,26,27)(H3,22,23,25);11-13H,1-10H2/t18-;/m0./s1 |
| InChI Key | YIFJUFKMGZAOPA-FERBBOLQSA-N |
| MDL Number | MFCD00237326 |
| Molecular Formula | C33H49N5O7S |
| Molecular Weight | 659.8365 |
| SMILES | O=C(O)[C@@H](NC(OCC1=CC=CC=C1)=O)CCCNC(NS(=O)(C2=CC=C(OC)C=C2)=O)=N.C3(NC4CCCCC4)CCCCC3 |
| Synonyms | Z-Arg(Mbs)-OH DCHA,
58810-11-0,
MFCD00237326,
Z-ARG(MBS)-OH.DCHA,
z-Arg(mbs)-oh?dcha,
DTXSID80718550,
KS-00000H9S,
7854AH,
KM0247,
C21H26N4O7S.C12H23N,
AKOS016014326,
ST24050358,
Z-N-omega-(4-Methoxybenzenesulfonyl)-L-arginine dicyclohexylammonium salt,
(E)-N~5~-{Amino[(4-methoxybenzene-1-sulfonyl)amino]methylidene}-N~2~-[(benzyloxy)carbonyl]-L-ornithine--N-cyclohexylcyclohexanamine (1/1),
dicyclohexylamine (S)-2-(benzyloxycarbonylamino)-5-(3-(4-methoxyphenylsulfonyl)guanidino)pentanoate,
N^a-Benzyloxycarbonyl-N^w-(4-methoxybenzenesulfonyl)-L-arginine dicyclohexylammonium salt, 95%,
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| Complexity | 871 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 659.335g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 46 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 659.843g/mol |
| Monoisotopic Mass | 659.335g/mol |
| Rotatable Bond Count | 15 |
| Topological Polar Surface Area | 190A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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