Products 122088-76-0

CAS 122088-76-0 is the registry number for Cgp 38560 (methanesulfonate). Offered by: MedChemExpress. Available pack sizes: Get quote.

Structural formula: {0} (CAS {1})

(2S)-N-[(2S)-2-amino-3-cyclohexylpropanoyl]-N-[(2S)-2-[[(2R)-2-benzyl-3-tert-butylsulfonylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]-2-(butylamino)-3-methylbutanamide;methanesulfonic acid (CAS 122088-76-0) is a chemical compound with the molecular formula C39H64N6O9S2 and a molecular weight of 825.1 g/mol. IUPAC name: (2S)-N-[(2S)-2-amino-3-cyclohexylpropanoyl]-N-[(2S)-2-[[(2R)-2-benzyl-3-tert-butylsulfonylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]-2-(butylamino)-3-methylbutanamide;methanesulfonic acid. InChIKey: XXPFSPNMUAZMMO-CRNPUGFUSA-N.

Identity
Molecular formulaC39H64N6O9S2
Molecular weight825.1 g/mol
IUPAC name(2S)-N-[(2S)-2-amino-3-cyclohexylpropanoyl]-N-[(2S)-2-[[(2R)-2-benzyl-3-tert-butylsulfonylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]-2-(butylamino)-3-methylbutanamide;methanesulfonic acid
InChIKeyXXPFSPNMUAZMMO-CRNPUGFUSA-N
SMILESCCCCN[C@@H](C(C)C)C(=O)N(C(=O)[C@H](CC1CCCCC1)N)C(=O)[C@H](CC2=CN=CN2)NC(=O)[C@@H](CC3=CC=CC=C3)CS(=O)(=O)C(C)(C)C.CS(=O)(=O)O

Computed by PubChem (NCBI)