Cas no 1989698-37-4 (Lugdunin)
Lugdunin structure
Product Name:Lugdunin
CAS No:1989698-37-4
MF:C40H62N8O6S
MW:783.04
CID:5089039
PubChem ID:121596231
Update Time:2024-03-02
Lugdunin Chemical and Physical Properties
Names and Identifiers
-
- CHEMBL4868284
- Q26156270
- DTXSID801336028
- EX-A5148
- lugdunin
- CS-0647596
- CHEBI:133127
- SCHEMBL18102658
- (1R,4R,7S,10R,13S,16R,19S)-7-[(1H-indol-3-yl)methyl]-10-(2-methylpropyl)-4,13,16,19-tetra(propan-2-yl)-21-thia-3,6,9,12,15,18,23-heptaazabicyclo[18.2.1]tricosane-2,5,8,11,14,17-hexone
- HY-P4200
- 1989698-37-4
- Lugdunin
-
- Inchi： 1S/C40H62N8O6S/c1-19(2)15-27-35(50)45-31(21(5)6)38(53)47-32(22(7)8)39(54)48-33(23(9)10)40-44-29(18-55-40)36(51)46-30(20(3)4)37(52)43-28(34(49)42-27)16-24-17-41-26-14-12-11-13-25(24)26/h11-14,17,19-23,27-33,40-41,44H,15-16,18H2,1-10H3,(H,42,49)(H,43,52)(H,45,50)(H,46,51)(H,47,53)(H,48,54)/t27-,28+,29+,30-,31+,32-,33+,40?/m1/s1
- InChI Key： QZNGYMKAHFFKCJ-ZBQZSICZSA-N
- SMILES： C(C)(C[C@@H]1C(N[C@@H](C(C)C)C(=O)N[C@H](C(C)C)C(N[C@H](C2N[C@@]([H])(CS2)C(=O)N[C@H](C(C)C)C(N[C@@H](CC2=CNC3=C2C=CC=C3)C(=O)N1)=O)C(C)C)=O)=O)C
Computed Properties
- Exact Mass: 782.45130290g/mol
- Monoisotopic Mass: 782.45130290g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 8
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 55
- Rotatable Bond Count: 8
- Complexity: 1380
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.6
- Topological Polar Surface Area: 228?2
Lugdunin Related Literature
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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