Cas no 91776-42-0 (N-acetyl-S-[(1-hydroxy-3-methoxy-7-methyl-5,8-dioxo-5,8-dihydronaphthalen-2-yl)methyl]-L-cysteine)
![N-acetyl-S-[(1-hydroxy-3-methoxy-7-methyl-5,8-dioxo-5,8-dihydronaphthalen-2-yl)methyl]-L-cysteine structure](https://ossimg.kuujia.com/scimg/92000/91776-42-0x500.png)
91776-42-0 structure
Product Name:N-acetyl-S-[(1-hydroxy-3-methoxy-7-methyl-5,8-dioxo-5,8-dihydronaphthalen-2-yl)methyl]-L-cysteine
CAS No:91776-42-0
MF:C18H19NO7S
MW:393.410964250565
CID:1970053
PubChem ID:56293
Update Time:2025-04-21
N-acetyl-S-[(1-hydroxy-3-methoxy-7-methyl-5,8-dioxo-5,8-dihydronaphthalen-2-yl)methyl]-L-cysteine Chemical and Physical Properties
Names and Identifiers
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- N-Acetyl-S-[(5,8-dihydro-1-hydroxy-3-methoxy-7-methyl-5,8-dioxonaphthalen-2-yl)methyl]-L-cysteine
- N-acetyl-S-[(1-hydroxy-3-methoxy-7-methyl-5,8-dioxo-5,8-dihydronaphthalen-2-yl)methyl]-L-cysteine
- (2R)-2-acetamido-3-[(1-hydroxy-3-methoxy-7-methyl-5,8-dioxonaphthalen-2-yl)methylsulfanyl]propanoic acid
- (2R)-2-acetamido-3-[(1-hydroxy-3-methoxy-7-methyl-5,8-dioxonaphthalen-2-yl)methylsulanyl]propanoic acid
- DTXSID80238687
- CHEBI:221950
- 91776-42-0
- Fibrostatin A
- L-Cysteine, N-acetyl-S-((5,8-dihydro-1-hydroxy-3-methoxy-7-methyl-5,8-dioxo-2-naphthalenyl)methyl)-
-
- Inchi： 1S/C18H19NO7S/c1-8-4-13(21)10-5-14(26-3)11(17(23)15(10)16(8)22)6-27-7-12(18(24)25)19-9(2)20/h4-5,12,23H,6-7H2,1-3H3,(H,19,20)(H,24,25)/t12-/m0/s1
- InChI Key： FDDCAZRCTMQKHP-LBPRGKRZSA-N
- SMILES： S(C[C@@H](C(=O)O)NC(C)=O)CC1C(=CC2C(C=C(C)C(C=2C=1O)=O)=O)OC
Computed Properties
- Exact Mass: 393.08822312g/mol
- Monoisotopic Mass: 393.08822312g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 27
- Rotatable Bond Count: 7
- Complexity: 662
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.4
- Topological Polar Surface Area: 155?2
N-acetyl-S-[(1-hydroxy-3-methoxy-7-methyl-5,8-dioxo-5,8-dihydronaphthalen-2-yl)methyl]-L-cysteine Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
91776-42-0 (N-acetyl-S-[(1-hydroxy-3-methoxy-7-methyl-5,8-dioxo-5,8-dihydronaphthalen-2-yl)methyl]-L-cysteine) Related Products
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