Cas no 824392-73-6 (L-Aspartic acid, L-prolyl-L-leucyl-L-prolyl-)
824392-73-6 structure
Product Name:L-Aspartic acid, L-prolyl-L-leucyl-L-prolyl-
CAS No:824392-73-6
MF:C20H32N4O7
MW:440.490685462952
CID:691935
PubChem ID:71418657
Update Time:2025-04-19
L-Aspartic acid, L-prolyl-L-leucyl-L-prolyl- Chemical and Physical Properties
Names and Identifiers
-
- L-Aspartic acid, L-prolyl-L-leucyl-L-prolyl-
- (2S)-2-[[(2S)-1-[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]butanedioic acid
- 824392-73-6
- DTXSID20837951
- L-Prolyl-L-leucyl-L-prolyl-L-aspartic acid
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- Inchi： 1S/C20H32N4O7/c1-11(2)9-13(22-17(27)12-5-3-7-21-12)19(29)24-8-4-6-15(24)18(28)23-14(20(30)31)10-16(25)26/h11-15,21H,3-10H2,1-2H3,(H,22,27)(H,23,28)(H,25,26)(H,30,31)/t12-,13-,14-,15-/m0/s1
- InChI Key： ICKCMPDTXMLIDF-AJNGGQMLSA-N
- SMILES： O=C([C@H](CC(C)C)NC([C@@H]1CCCN1)=O)N1CCC[C@H]1C(N[C@H](C(=O)O)CC(=O)O)=O
Computed Properties
- Exact Mass: 440.22709937g/mol
- Monoisotopic Mass: 440.22709937g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 31
- Rotatable Bond Count: 10
- Complexity: 712
- 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
- XLogP3: -3.9
- Topological Polar Surface Area: 165?2
L-Aspartic acid, L-prolyl-L-leucyl-L-prolyl- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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