Cas no 61280-91-9 (L-Alaninamide, N-[(phenylmethoxy)carbonyl]-D-alanyl-N-methyl-)
![L-Alaninamide, N-[(phenylmethoxy)carbonyl]-D-alanyl-N-methyl- structure](https://ossimg.kuujia.com/scimg/61500/61280-91-9x500.png)
61280-91-9 structure
Product Name:L-Alaninamide, N-[(phenylmethoxy)carbonyl]-D-alanyl-N-methyl-
CAS No:61280-91-9
MF:C15H21N3O4
MW:307.344943761826
CID:486021
PubChem ID:71397465
Update Time:2025-04-19
L-Alaninamide, N-[(phenylmethoxy)carbonyl]-D-alanyl-N-methyl- Chemical and Physical Properties
Names and Identifiers
-
- L-Alaninamide, N-[(phenylmethoxy)carbonyl]-D-alanyl-N-methyl-
- DTXSID00818960
- 61280-91-9
- N-[(Benzyloxy)carbonyl]-D-alanyl-N-methyl-L-alaninamide
-
- Inchi： 1S/C15H21N3O4/c1-10(13(19)16-3)17-14(20)11(2)18-15(21)22-9-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,16,19)(H,17,20)(H,18,21)/t10-,11+/m0/s1
- InChI Key： ZIOBBKUCLDPHFV-WDEREUQCSA-N
- SMILES： O(CC1C=CC=CC=1)C(N[C@H](C)C(N[C@H](C(NC)=O)C)=O)=O
Computed Properties
- Exact Mass: 307.15333
- Monoisotopic Mass: 307.15320616g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 7
- Complexity: 394
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.9
- Topological Polar Surface Area: 96.5?2
Experimental Properties
- PSA: 96.53
L-Alaninamide, N-[(phenylmethoxy)carbonyl]-D-alanyl-N-methyl- Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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