benzyl N-[(1R)-1-[[2,4-dibromo-6-[(cyclohexyl-methyl-amino)methyl]phenyl]carbamoyl]-2-[(2R)-2-[[2,4-dibromo-6-[(cyclohexyl-methyl-amino)methyl]phenyl]carbamoyl]-2-phenylmethoxycarbonylamino-ethyl]disulfanyl-ethyl]carbamate (CAS 86042-50-4) — formula C50H60Br4N6O6S2, molecular weight 1224.8; category organic chemicals.
| CAS Number | 86042-50-4 |
|---|---|
| Molecular Formula | C50H60Br4N6O6S2 |
| Molecular Weight | 1224.8 |
| LogP | 11.3 |
| Category | Organic Chemicals |
benzyl N-[(1R)-1-[[2,4-dibromo-6-[(cyclohexyl-methyl-amino)methyl]phenyl]carbamoyl]-2-[(2R)-2-[[2,4-dibromo-6-[(cyclohexyl-methyl-amino)methyl]phenyl]carbamoyl]-2-phenylmethoxycarbonylamino-ethyl]disulfanyl-ethyl]carbamate is a carbon-based organic compound with CAS registry number 86042-50-4 and molecular formula C50H60Br4N6O6S2 (molecular weight 1224.8), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 86042-50-4
Its molecular formula C50H60Br4N6O6S2 comprises 50 C, 60 H, 4 Br, 6 N, 6 O, 2 S atoms.
Also known as: benzyl N-[(1R)-1-[[2,4-dibromo-6-[(cyclohexyl-methyl-amino)methyl]phenyl]carbamoyl]-2-[(2R)-2-[[2,4-dibromo-6-[(cyclohexyl-methyl-amino)methyl]phenyl]carbamoyl]-2-phenylmethoxycarbonylamino-ethyl]disulfanyl-ethyl]carbamate · N-[(1R)-1-[[2,4-二溴-6-[(环己基甲基氨基)甲基]苯基]氨基甲酰基]-2-[(2R)-2-[[2,4-二溴-6-[(环己基甲基氨基)甲基]苯基]氨基甲酰基]-2-苯基甲氧基羰基氨基乙基]二硫基乙基]氨基甲酸苄酯
Category: organic chemicals
The CAS registry number of benzyl N-[(1R)-1-[[2,4-dibromo-6-[(cyclohexyl-methyl-amino)methyl]phenyl]carbamoyl]-2-[(2R)-2-[[2,4-dibromo-6-[(cyclohexyl-methyl-amino)methyl]phenyl]carbamoyl]-2-phenylmethoxycarbonylamino-ethyl]disulfanyl-ethyl]carbamate is 86042-50-4.
Molecular formula C50H60Br4N6O6S2, molecular weight 1224.8.
It is also registered under: benzyl N-[(1R)-1-[[2,4-dibromo-6-[(cyclohexyl-methyl-amino)methyl]phenyl]carbamoyl]-2-[(2R)-2-[[2,4-dibromo-6-[(cyclohexyl-methyl-amino)methyl]phenyl]carbamoyl]-2-phenylmethoxycarbonylamino-ethyl]disulfanyl-ethyl]carbamate, N-[(1R)-1-[[2,4-二溴-6-[(环己基甲基氨基)甲基]苯基]氨基甲酰基]-2-[(2R)-2-[[2,4-二溴-6-[(环己基甲基氨基)甲基]苯基]氨基甲酰基]-2-苯基甲氧基羰基氨基乙基]二硫基乙基]氨基甲酸苄酯.
Category: Organic Chemicals.
Independent reference data for benzyl N-[(1R)-1-[[2,4-dibromo-6-[(cyclohexyl-methyl-amino)methyl]phenyl]carbamoyl]-2-[(2R)-2-[[2,4-dibromo-6-[(cyclohexyl-methyl-amino)methyl]phenyl]carbamoyl]-2-phenylmethoxycarbonylamino-ethyl]disulfanyl-ethyl]carbamate (CAS 86042-50-4), compiled from public chemistry databases.
| CAS 号 | 86042-50-4 |
|---|---|
| PubChem CID | 65644 |
| 分子式 | C50H60Br4N6O6S2 |
| IUPAC 名称 | 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 |
| UNII（FDA） | 62VR67FK8E |
| Molecular Weight | 1224.8 |
|---|---|
| XLogP3 | 11.3 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 23 |
| Exact Mass | 1224.07083 |
| Monoisotopic Mass | 1220.07493 |
| Topological Polar Surface Area | 192 |
| Heavy Atom Count | 68 |
Cistinexine; Cistinexina; Cistinexinum; 86042-50-4; 62VR67FK8E; DTXSID50235360; RefChem:126494; DTXCID50157851; Rec-15-1884-2; Cistinexine [INN]; Cistinexinum [Latin]; Cistinexina [Spanish]; UNII-62VR67FK8E; CISTINEXINE [MART.]; N,N'-Bisbenzilossicarbonilcistin-bis(2,4-dibromo-6-(N-cicloesil-N-metil)aminometil)anilide; N,N'-Di(benzyloxycarbonyl)cysteine di(4,6-dibromo-2-(N-cyclohexyl-N-methylaminomethyl)anilide)
N-[(1R)-1-[[2,4-二溴-6-[(环己基甲基氨基)甲基]苯基]氨基甲酰基]-2-[(2R)-2-[[2,4-二溴-6-[(环己基甲基氨基)甲基]苯基]氨基甲酰基]-2-苯基甲氧基羰基氨基乙基]二硫基乙基]氨基甲酸苄酯 · CAS 86042-50-4 · C50H60Br4N6O6S2. UNII 62VR67FK8E.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.