Cas no 1022904-20-6 (Platensimide A)
Platensimide A structure
Product Name:Platensimide A
CAS No:1022904-20-6
MF:C23H32N2O6
MW:432.509986877441
CID:6645986
PubChem ID:24873684
Update Time:2024-03-02
Platensimide A Chemical and Physical Properties
Names and Identifiers
-
- Platensimide A
- (2S)-4-(Acetylamino)-2-[[3-[(1S,3S,4S,5aS,9S,9aR)-1,4,5,8,9,9a-hexahydro-3,9-dimethyl-8-oxo-3H-1,4:3,5a-dimethano-2-benzoxepin-9-yl]-1-oxopropyl]amino]butanoic acid
- DTXSID601099418
- (2S)-4-(acetylamino)-2-({3-[(1S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxo-1,2,5,6,7,8,9,9a-octahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)butanoic acid
- 1022904-20-6
- CHEBI:68246
- Q27136738
- (2S)-4-acetamido-2-[3-[(1S,5S,6R,7S,9S,10S)-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-5-yl]propanoylamino]butanoic acid
-
- Inchi： 1S/C23H32N2O6/c1-13(26)24-9-6-15(20(29)30)25-18(28)5-7-21(2)17(27)4-8-23-11-14-10-16(19(21)23)31-22(14,3)12-23/h4,8,14-16,19H,5-7,9-12H2,1-3H3,(H,24,26)(H,25,28)(H,29,30)/t14-,15+,16+,19+,21-,22+,23+/m1/s1
- InChI Key： DFUHBSQGPGWPQE-UBSGIXRYSA-N
- SMILES： O1[C@H]2C[C@@H]3C[C@@]4(C=CC([C@@](C)(CCC(N[C@H](C(=O)O)CCNC(C)=O)=O)[C@@H]42)=O)C[C@]13C
Computed Properties
- Exact Mass: 432.22603674g/mol
- Monoisotopic Mass: 432.22603674g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 31
- Rotatable Bond Count: 8
- Complexity: 855
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.7
- Topological Polar Surface Area: 122?2
Platensimide A Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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