Cas no 647008-42-2 (L-Aspartic acid, L-glutaminyl-L-alanyl-L-alanyl-)
647008-42-2 structure
Product Name:L-Aspartic acid, L-glutaminyl-L-alanyl-L-alanyl-
CAS No:647008-42-2
MF:C15H25N5O8
MW:403.38770365715
CID:418823
PubChem ID:71379108
Update Time:2025-04-19
L-Aspartic acid, L-glutaminyl-L-alanyl-L-alanyl- Chemical and Physical Properties
Names and Identifiers
-
- L-Aspartic acid, L-glutaminyl-L-alanyl-L-alanyl-
- (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]propanoyl]amino]propanoyl]amino]butanedioic acid
- L-Glutaminyl-L-alanyl-L-alanyl-L-aspartic acid
- 647008-42-2
- DTXSID60801696
-
- Inchi： 1S/C15H25N5O8/c1-6(19-14(26)8(16)3-4-10(17)21)12(24)18-7(2)13(25)20-9(15(27)28)5-11(22)23/h6-9H,3-5,16H2,1-2H3,(H2,17,21)(H,18,24)(H,19,26)(H,20,25)(H,22,23)(H,27,28)/t6-,7-,8-,9-/m0/s1
- InChI Key： KVMHHPCQICFUAW-JBDRJPRFSA-N
- SMILES： O=C([C@H](CCC(N)=O)N)N[C@@H](C)C(N[C@@H](C)C(N[C@H](C(=O)O)CC(=O)O)=O)=O
Computed Properties
- Exact Mass: 403.17045
- Monoisotopic Mass: 403.17031277g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 28
- Rotatable Bond Count: 12
- Complexity: 638
- 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: -5.8
- Topological Polar Surface Area: 231?2
Experimental Properties
- PSA: 231.01
L-Aspartic acid, L-glutaminyl-L-alanyl-L-alanyl- Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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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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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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