Cas no 41036-61-7 (Acetylprolylalanylproline)
Acetylprolylalanylproline structure
Product Name:Acetylprolylalanylproline
CAS No:41036-61-7
MF:C15H23N3O5
MW:325.36022400856
CID:2634401
PubChem ID:14503264
Update Time:2025-04-21
Acetylprolylalanylproline Chemical and Physical Properties
Names and Identifiers
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- (2S)-1-[(2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
- 41036-61-7
- DTXSID50561070
- acetylprolylalanylproline
- CMFZCVLZQZQFEM-DLOVCJGASA-N
- SCHEMBL8053385
- 1-Acetyl-L-prolyl-L-alanyl-L-proline
- Acetylprolylalanylproline
-
- Inchi： 1S/C15H23N3O5/c1-9(14(21)18-8-4-6-12(18)15(22)23)16-13(20)11-5-3-7-17(11)10(2)19/h9,11-12H,3-8H2,1-2H3,(H,16,20)(H,22,23)/t9-,11-,12-/m0/s1
- InChI Key： CMFZCVLZQZQFEM-DLOVCJGASA-N
- SMILES： O=C([C@H](C)NC([C@@H]1CCCN1C(C)=O)=O)N1CCC[C@H]1C(=O)O
Computed Properties
- Exact Mass: 325.16377084g/mol
- Monoisotopic Mass: 325.16377084g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 23
- Rotatable Bond Count: 4
- Complexity: 521
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.8
- Topological Polar Surface Area: 107?2
Acetylprolylalanylproline Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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