Cas no 121578-39-0 (N-[(2R,3S,4S,6R)-17-Benzyl-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N-methylbenzamide)
![N-[(2R,3S,4S,6R)-17-Benzyl-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N-methylbenzamide structure](https://ossimg.kuujia.com/scimg/122000/121578-39-0x500.png)
121578-39-0 structure
Product Name:N-[(2R,3S,4S,6R)-17-Benzyl-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N-methylbenzamide
CAS No:121578-39-0
MF:C42H36N4O4
MW:660.759650230408
CID:144438
PubChem ID:188390
Update Time:2024-03-01
N-[(2R,3S,4S,6R)-17-Benzyl-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N-methylbenzamide Chemical and Physical Properties
Names and Identifiers
-
- Benzamide,N-[(9S,10R,11R,13R)-2,3,10,11,12,13-hexahydro-10-methoxy-9-methyl-1-oxo-2-(phenylmethyl)-9,13-epoxy-1H,9H-diindolo[1,2,3-gh:3',2',1'-lm]pyrrolo[3,4-j][1,7]benzodiazonin-11-yl]-N-methyl-(9CI)
- Cgp 42700
- N-[(2R,3S,4S,6R)-17-Benzyl-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,2
- N-[(2R,3S,4S,6R)-17-Benzyl-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N-methylbenzamide
-
- Inchi： 1S/C42H36N4O4/c1-42-39(49-3)32(43(2)40(47)26-16-8-5-9-17-26)22-33(50-42)45-30-20-12-10-18-27(30)35-36-29(24-44(41(36)48)23-25-14-6-4-7-15-25)34-28-19-11-13-21-31(28)46(42)38(34)37(35)45/h4-21,32-33,39H,22-24H2,1-3H3/t32-,33+,39-,42+/m0/s1
- InChI Key： ABNYYFBELSVSNV-OSODCVOKSA-N
- SMILES： O1[C@@H]2C[C@@H]([C@@H]([C@]1(C)N1C3C=CC=CC=3C3=C4CN(CC5C=CC=CC=5)C(C4=C4C5C=CC=CC=5N2C4=C13)=O)OC)N(C(C1C=CC=CC=1)=O)C
Computed Properties
- Exact Mass: 660.27365564g/mol
- Monoisotopic Mass: 660.27365564g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 50
- Rotatable Bond Count: 5
- Complexity: 1320
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 68.9
- XLogP3: 6.5
N-[(2R,3S,4S,6R)-17-Benzyl-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N-methylbenzamide Related Literature
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
121578-39-0 (N-[(2R,3S,4S,6R)-17-Benzyl-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N-methylbenzamide) Related Products
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