| CAS Number | 29388-62-3 |
| Catalog Number | AG002Y86(AGN-PC-0R50YL) |
| Chemical Name | Z-Arg(Tos)-OH CHA |
| IUPAC Name | (2S)-5-[[amino-[(4-methylphenyl)sulfonylamino]methylidene]amino]-2-(phenylmethoxycarbonylamino)pentanoic acid;cyclohexanamine |
| InChI | InChI=1S/C21H26N4O6S.C6H13N/c1-15-9-11-17(12-10-15)32(29,30)25-20(22)23-13-5-8-18(19(26)27)24-21(28)31-14-16-6-3-2-4-7-16;7-6-4-2-1-3-5-6/h2-4,6-7,9-12,18H,5,8,13-14H2,1H3,(H,24,28)(H,26,27)(H3,22,23,25);6H,1-5,7H2/t18-;/m0./s1 |
| InChI Key | IKJKHVXZAVBGSA-FERBBOLQSA-N |
| MDL Number | MFCD00191162 |
| Molecular Formula | C27H39N5O6S |
| Molecular Weight | 561.6935 |
| SMILES | NC1CCCCC1.CC1=CC=C(C=C1)S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OCC1=CC=CC=C1)C(O)=O |
| Synonyms | Z-Arg(Tos)-OH.CHA,
29388-62-3,
Z-Arg(Tos)-OH CHA,
C27H39N5O6S,
KS-00000H9T,
AKOS030524070,
DS-3266,
ACM29388623,
X5751,
L-Ornithine, N5-[imino[[(4-methylphenyl)sulfonyl]amino]methyl]-N2-[(phenylmethoxy)carbonyl]-, compd. with cyclohexanamine (1:1),
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| Complexity | 784 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 561.262g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 39 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 561.698g/mol |
| Monoisotopic Mass | 561.262g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 195A^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