Cas no 214044-53-8 (Nocathiacin I; 4'-N-De-Me)
Nocathiacin I; 4'-N-De-Me structure
Product Name:Nocathiacin I; 4'-N-De-Me
CAS No:214044-53-8
MF:C60H58N14O18S5
MW:1423.51052618027
CID:6711065
Update Time:2024-03-02
Nocathiacin I; 4'-N-De-Me Chemical and Physical Properties
Names and Identifiers
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- MJ347-81F4-B
- MJ 347-81F4 B
- Nocathiacin I; 4'-N-De-Me
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- Inchi： 1S/C60H58N14O18S5/c1-21(47(61)77)63-48(78)30-18-96-56(68-30)41-35(76)11-26-40(70-41)29-16-94-54(65-29)28-15-90-58(83)43-27-14-88-44(45(92-36-12-60(5,85)46(62-6)24(4)91-36)59(84)89-13-25-9-8-10-34(37(25)27)74(43)86)42(57-69-31(19-97-57)49(79)64-28)73-51(81)33-20-95-55(67-33)39(23(3)87-7)72-52(82)38(22(2)75)71-50(80)32-17-93-53(26)66-32/h8-11,16-20,22,24,28,36,38,42,44-46,62,75-76,85-86H,1,12-15H2,2-7H3,(H2,61,77)(H,63,78)(H,64,79)(H,71,80)(H,72,82)(H,73,81)/b39-23+
- InChI Key： RQEPNTVQILZFPS-JRZNSJKLSA-N
- SMILES： CNC1C(O)(C)CC(OC2C(=O)OCC3=C4C5=C(N(C4=CC=C3)O)C(OCC3C4=NC(=CS4)C4C(=CC(=C(C6SC=C(C(NC(C(=O)N)=C)=O)N=6)N=4)O)C4=NC(=CS4)C(=O)NC(C(O)C)C(=O)N/C(=C(/OC)\C)/C4=NC(=CS4)C(=O)NC(C2OC5)C2=NC(=CS2)C(=O)N3)=O)OC1C
Computed Properties
- Hydrogen Bond Donor Count: 11
- Hydrogen Bond Acceptor Count: 30
- Heavy Atom Count: 97
- XLogP3: -0.941
Nocathiacin I; 4'-N-De-Me Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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