Cas no 155661-19-1 (CID 101663073)
CID 101663073 structure
Product Name:CID 101663073
CAS No:155661-19-1
MF:C45H61N7O8
MW:828.007951498032
CID:175873
Update Time:2024-03-01
CID 101663073 Chemical and Physical Properties
Names and Identifiers
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- Phakellistatin 2 (9CI)
- 5H-Tripyrrolo[1,2-a:1',2'-g:1'',2''-j][1,4,7,10,13,16,19]heptaazacycloheneicosine,cyclic peptide deriv.
- Cyclo(L-isoleucyl-L-isoleucyl-L-prolyl-L-tyrosyl-L-prolyl-L-phenylalanyl-L-prolyl)
- Phakellistatin 2
- CID 101663073
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- Inchi： 1S/C45H61N7O8/c1-5-27(3)37-42(57)49-38(28(4)6-2)45(60)52-24-12-16-35(52)40(55)47-33(26-30-18-20-31(53)21-19-30)44(59)50-22-10-15-34(50)39(54)46-32(25-29-13-8-7-9-14-29)43(58)51-23-11-17-36(51)41(56)48-37/h7-9,13-14,18-21,27-28,32-38,53H,5-6,10-12,15-17,22-26H2,1-4H3,(H,46,54)(H,47,55)(H,48,56)(H,49,57)/t27-,28-,32-,33-,34-,35?,36-,37-,38+/m0/s1
- InChI Key： LNXDZKNDLBCPBR-WDKIYMQBSA-N
- SMILES： O=C1[C@@H]([C@@H](C)CC)NC([C@H]([C@@H](C)CC)NC([C@@H]2CCCN2C([C@H](CC2C=CC=CC=2)NC([C@@H]2CCCN2C([C@H](CC2C=CC(=CC=2)O)NC(C2CCCN21)=O)=O)=O)=O)=O)=O
Computed Properties
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 60
- Rotatable Bond Count: 8
- Complexity: 1560
- Topological Polar Surface Area: 198
CID 101663073 Related Literature
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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