Products 86042-50-4

CAS 86042-50-4 is the registry number for Cistinexine. Offered by: MedChemExpress. Available pack sizes: Get quote.

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

Benzyl N-[(2R)-1-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]anilino]-3-[[(2R)-3-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]anilino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-1-oxopropan-2-yl]carbamate (CAS 86042-50-4) is a chemical compound with the molecular formula C50H60Br4N6O6S2 and a molecular weight of 1224.8 g/mol. IUPAC name: benzyl N-[(2R)-1-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]anilino]-3-[[(2R)-3-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]anilino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-1-oxopropan-2-yl]carbamate. InChIKey: UVOSLKVETODLTR-CXNSMIOJSA-N.

Identity
Molecular formulaC50H60Br4N6O6S2
Molecular weight1224.8 g/mol
IUPAC namebenzyl N-[(2R)-1-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]anilino]-3-[[(2R)-3-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]anilino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-1-oxopropan-2-yl]carbamate
InChIKeyUVOSLKVETODLTR-CXNSMIOJSA-N
SMILESCN(CC1=C(C(=CC(=C1)Br)Br)NC(=O)[C@H](CSSC[C@@H](C(=O)NC2=C(C=C(C=C2Br)Br)CN(C)C3CCCCC3)NC(=O)OCC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5)C6CCCCC6

Computed by PubChem (NCBI)