Cas no 396729-25-2 (Cyclo(L-isoleucyl-L-leucyl-D-phenylalanyl-L-prolyl-L-leucyl-D-leucyl))
396729-25-2 structure
Product Name:Cyclo(L-isoleucyl-L-leucyl-D-phenylalanyl-L-prolyl-L-leucyl-D-leucyl)
CAS No:396729-25-2
MF:C38H60N6O6
MW:696.919610023499
CID:3964164
PubChem ID:139586868
Update Time:2025-04-22
Cyclo(L-isoleucyl-L-leucyl-D-phenylalanyl-L-prolyl-L-leucyl-D-leucyl) Chemical and Physical Properties
Names and Identifiers
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- Cyclo(L-isoleucyl-L-leucyl-D-phenylalanyl-L-prolyl-L-leucyl-D-leucyl)
- Phepropeptin C
- CHEBI:207561
- 396729-25-2
- (3R,6S,9S,12R,15S,18R)-3-benzyl-9-butan-2-yl-6,12,15-tris(2-methylpropyl)-1,4,7,10,13,16-hexazabicyclo(16.3.0)henicosane-2,5,8,11,14,17-hexone
- (3R,6S,9S,12R,15S,18S)-3-benzyl-9-[(2S)-butan-2-yl]-6,12,15-tris(2-methylpropyl)-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone
- (3R,6S,9S,12R,15S,18R)-3-benzyl-9-butan-2-yl-6,12,15-tris(2-methylpropyl)-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone
- (3R,6S,9S,12R,15S,18S)-3-benzyl-9-((2S)-butan-2-yl)-6,12,15-tris(2-methylpropyl)-1,4,7,10,13,16-hexazabicyclo(16.3.0)henicosane-2,5,8,11,14,17-hexone
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- Inchi： 1S/C38H60N6O6/c1-9-25(8)32-37(49)41-28(19-23(4)5)34(46)42-30(21-26-14-11-10-12-15-26)38(50)44-17-13-16-31(44)36(48)40-27(18-22(2)3)33(45)39-29(20-24(6)7)35(47)43-32/h10-12,14-15,22-25,27-32H,9,13,16-21H2,1-8H3,(H,39,45)(H,40,48)(H,41,49)(H,42,46)(H,43,47)/t25?,27-,28-,29+,30+,31+,32-/m0/s1
- InChI Key： AKQUYKYHJPCGHJ-OMPYVEQSSA-N
- SMILES： CCC([C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC2C=CC=CC=2)C(=O)N2[C@H](CCC2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N1)C
Computed Properties
- Exact Mass: 696.45743365Da
- Monoisotopic Mass: 696.45743365Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 50
- Rotatable Bond Count: 10
- Complexity: 1180
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 6
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.336
- Topological Polar Surface Area: 166?2
Cyclo(L-isoleucyl-L-leucyl-D-phenylalanyl-L-prolyl-L-leucyl-D-leucyl) Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
396729-25-2 (Cyclo(L-isoleucyl-L-leucyl-D-phenylalanyl-L-prolyl-L-leucyl-D-leucyl)) Related Products
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