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Nα-(tert-Butoxycarbonyl)-L-arginine 4-Nitroanilide Hydrochloride - >98.0%(HPLC)(T), high purity , CAS No.99306-64-6
Basic Description
Synonyms | A858480 | N+/--(tert-Butoxycarbonyl)-L-arginine 4-Nitroanilide Hydrochloride | (S)-tert-Butyl (5-guanidino-1-((4-nitrophenyl)amino)-1-oxopentan-2-yl)carbamate hydrochloride | SCHEMBL10883407 | ZDA30664 | MFCD00143585 | tert-butyl N-[(2S)-5-(diaminomethyli |
Specifications & Purity | ≥98%(HPLC)(T) |
Shipped In | Normal |
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Names and Identifiers
IUPAC Name | tert-butyl N-[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]carbamate;hydrochloride |
INCHI | InChI=1S/C17H26N6O5.ClH/c1-17(2,3)28-16(25)22-13(5-4-10-20-15(18)19)14(24)21-11-6-8-12(9-7-11)23(26)27;/h6-9,13H,4-5,10H2,1-3H3,(H,21,24)(H,22,25)(H4,18,19,20);1H/t13-;/m0./s1 |
InChi Key | OUVONNGVXPOXGB-ZOWNYOTGSA-N |
Canonical SMILES | CC(C)(C)OC(=O)NC(CCCN=C(N)N)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-].Cl |
Isomeric SMILES | CC(C)(C)OC(=O)N[C@@H](CCCN=C(N)N)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-].Cl |
PubChem CID | 13502326 |
Molecular Weight | 430.89 |
Reaxy-Rn | 4776989 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Specific Rotation[α] | -12° (C=1,MeOH) |
Molecular Weight | 430.900 g/mol |
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XLogP3 | |
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Hydrogen Bond Donor Count | 5 |
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Hydrogen Bond Acceptor Count | 6 |
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Rotatable Bond Count | 9 |
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Exact Mass | 430.173 Da |
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Monoisotopic Mass | 430.173 Da |
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Topological Polar Surface Area | 178.000 Ų |
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Heavy Atom Count | 29 |
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Formal Charge | 0 |
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Complexity | 572.000 |
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Isotope Atom Count | 0 |
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Defined Atom Stereocenter Count | 1 |
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Undefined Atom Stereocenter Count | 0 |
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Defined Bond Stereocenter Count | 0 |
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Undefined Bond Stereocenter Count | 0 |
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The total count of all stereochemical bonds | 0 |
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Covalently-Bonded Unit Count | 2 |
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