Cas no 246018-81-5 (L-Prolyl-L-lysyl-L-alanyl-L-prolyl-L-seryl-L-alanyl-L-glutamine)
246018-81-5 structure
Product Name:L-Prolyl-L-lysyl-L-alanyl-L-prolyl-L-seryl-L-alanyl-L-glutamine
CAS No:246018-81-5
MF:C30H51N9O10
MW:697.780246973038
CID:2847313
Update Time:2023-08-10
L-Prolyl-L-lysyl-L-alanyl-L-prolyl-L-seryl-L-alanyl-L-glutamine Chemical and Physical Properties
Names and Identifiers
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- (2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[(2S)-pyrrolidine-2-carbonyl]amino]hexanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]propano
- (2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[(2S)-pyrrolidine-2-carbonyl]amino]hexanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-
- L-Prolyl-L-lysyl-L-alanyl-L-prolyl-L-seryl-L-alanyl-L-glutamine
-
- Inchi： 1S/C30H51N9O10/c1-16(24(42)37-20(30(48)49)10-11-23(32)41)34-27(45)21(15-40)38-28(46)22-9-6-14-39(22)29(47)17(2)35-26(44)19(7-3-4-12-31)36-25(43)18-8-5-13-33-18/h16-22,33,40H,3-15,31H2,1-2H3,(H2,32,41)(H,34,45)(H,35,44)(H,36,43)(H,37,42)(H,38,46)(H,48,49)/t16-,17-,18-,19-,20-,21-,22-/m0/s1
- InChI Key： VLCUUBYLMRWFIM-CPDXTSBQSA-N
- SMILES： O=C([C@H](C)NC([C@H](CCCCN)NC([C@@H]1CCCN1)=O)=O)N1CCC[C@H]1C(N[C@H](C(N[C@@H](C)C(N[C@H](C(=O)O)CCC(N)=O)=O)=O)CO)=O
Computed Properties
- Hydrogen Bond Donor Count: 10
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 49
- Rotatable Bond Count: 20
- Complexity: 1220
- XLogP3: -6
- Topological Polar Surface Area: 305
L-Prolyl-L-lysyl-L-alanyl-L-prolyl-L-seryl-L-alanyl-L-glutamine Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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