benzyl N-[1-[[1-[[3-benzylsulfanyl-1-[2-[[1-(carbaMoylMethylcarbaMoyl)-3-Methyl-butyl]carbaMoyl]pyrrolidin-1-yl]-1-oxo-propan-2-yl]carbaMoyl]-2-carbaMoyl-ethyl]carbaMoyl]-3-carbaMoyl-propyl]carbaMate (CAS 21688-11-9) — formula C40H55N9O10S, molecular weight 854.0; category organic chemicals.
| CAS Number | 21688-11-9 |
|---|---|
| Molecular Formula | C40H55N9O10S |
| Molecular Weight | 854.0 |
| LogP | -0.2 |
| Category | Organic Chemicals |
benzyl N-[1-[[1-[[3-benzylsulfanyl-1-[2-[[1-(carbaMoylMethylcarbaMoyl)-3-Methyl-butyl]carbaMoyl]pyrrolidin-1-yl]-1-oxo-propan-2-yl]carbaMoyl]-2-carbaMoyl-ethyl]carbaMoyl]-3-carbaMoyl-propyl]carbaMate is a carbon-based organic compound with CAS registry number 21688-11-9 and molecular formula C40H55N9O10S (molecular weight 854.0), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 21688-11-9
Its molecular formula C40H55N9O10S comprises 40 C, 55 H, 9 N, 10 O, 1 S atoms.
Also known as: benzyl N-[1-[[1-[[3-benzylsulfanyl-1-[2-[[1-(carbaMoylMethylcarbaMoyl)-3-Methyl-butyl]carbaMoyl]pyrrolidin-1-yl]-1-oxo-propan-2-yl]carbaMoyl]-2-carbaMoyl-ethyl]carbaMoyl]-3-carbaMoyl-propyl]carbaMate · N-[1-[[1-[[3-苄基硫基-1-[2-[[1-(氨基甲酰基甲基氨基甲酰基)-3-甲基丁基]氨基甲酰基]吡咯烷-1-基]-1-氧代-丙-2-基]氨基甲酰基]-2-氨基甲酰基-乙基]氨基甲酰基]-3-氨基甲酰基-丙基]氨基甲酸酯
Category: organic chemicals
The CAS registry number of benzyl N-[1-[[1-[[3-benzylsulfanyl-1-[2-[[1-(carbaMoylMethylcarbaMoyl)-3-Methyl-butyl]carbaMoyl]pyrrolidin-1-yl]-1-oxo-propan-2-yl]carbaMoyl]-2-carbaMoyl-ethyl]carbaMoyl]-3-carbaMoyl-propyl]carbaMate is 21688-11-9.
Molecular formula C40H55N9O10S, molecular weight 854.0.
It is also registered under: benzyl N-[1-[[1-[[3-benzylsulfanyl-1-[2-[[1-(carbaMoylMethylcarbaMoyl)-3-Methyl-butyl]carbaMoyl]pyrrolidin-1-yl]-1-oxo-propan-2-yl]carbaMoyl]-2-carbaMoyl-ethyl]carbaMoyl]-3-carbaMoyl-propyl]carbaMate, N-[1-[[1-[[3-苄基硫基-1-[2-[[1-(氨基甲酰基甲基氨基甲酰基)-3-甲基丁基]氨基甲酰基]吡咯烷-1-基]-1-氧代-丙-2-基]氨基甲酰基]-2-氨基甲酰基-乙基]氨基甲酰基]-3-氨基甲酰基-丙基]氨基甲酸酯.
Category: Organic Chemicals.
Independent reference data for benzyl N-[1-[[1-[[3-benzylsulfanyl-1-[2-[[1-(carbaMoylMethylcarbaMoyl)-3-Methyl-butyl]carbaMoyl]pyrrolidin-1-yl]-1-oxo-propan-2-yl]carbaMoyl]-2-carbaMoyl-ethyl]carbaMoyl]-3-carbaMoyl-propyl]carbaMate (CAS 21688-11-9), compiled from public chemistry databases.
| CAS 号 | 21688-11-9 |
|---|---|
| PubChem CID | 430244 |
| 分子式 | C40H55N9O10S |
| IUPAC 名称 | benzyl N-[5-amino-1-[[4-amino-1-[[1-[2-[[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-benzylsulfanyl-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamate |
| Molecular Weight | 854.0 |
|---|---|
| XLogP3 | -0.2 |
| Hydrogen Bond Donor Count | 8 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 25 |
| Exact Mass | 853.37926016 |
| Monoisotopic Mass | 853.37926016 |
| Topological Polar Surface Area | 330 |
| Heavy Atom Count | 60 |
21688-11-9; N~2~-[(Benzyloxy)carbonyl]glutaminylasparaginyl-S-benzylcysteinylprolylleucylglycinamide; NSC270033; DTXSID70330528; NSC-270033
N-[1-[[1-[[3-苄基硫基-1-[2-[[1-(氨基甲酰基甲基氨基甲酰基)-3-甲基丁基]氨基甲酰基]吡咯烷-1-基]-1-氧代-丙-2-基]氨基甲酰基]-2-氨基甲酰基-乙基]氨基甲酰基]-3-氨基甲酰基-丙基]氨基甲酸酯 · CAS 21688-11-9 · C40H55N9O10S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.