Cas no 100234-69-3 (Glycine,(2S)-N-(aminoiminomethyl)-2-(4-ethyl-3,5-dihydroxyphenyl)glycyl- (9CI))
100234-69-3 structure
Product Name:Glycine,(2S)-N-(aminoiminomethyl)-2-(4-ethyl-3,5-dihydroxyphenyl)glycyl- (9CI)
CAS No:100234-69-3
MF:C13H18N4O5
MW:310.305822849274
CID:156883
PubChem ID:127503
Update Time:2025-04-19
Glycine,(2S)-N-(aminoiminomethyl)-2-(4-ethyl-3,5-dihydroxyphenyl)glycyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Glycine,(2S)-N-(aminoiminomethyl)-2-(4-ethyl-3,5-dihydroxyphenyl)glycyl- (9CI)
- 2-[[(2S)-2-(diaminomethylideneamino)-2-(4-ethyl-3,5-dihydroxyphenyl)acetyl]amino]acetic acid
- resorcinomycin B
- Glycine, N-(N-(aminoiminomethyl)-L-2-(4-ethyl-3,5-dihydroxyphenyl)glycyl)-
- N-(alpha-Guanidino-3,5-dihydroxy-4-ethylphenylacetyl)glycine
- N-[(2S)-2-[(diaminomethylidene)amino]-2-(4-ethyl-3,5-dihydroxyphenyl)acetyl]glycine
- DTXSID40143046
- NS00011791
- CHEBI:221910
- SCHEMBL10344208
- 100234-69-3
- Antibiotic DO 248B
-
- Inchi： 1S/C13H18N4O5/c1-2-7-8(18)3-6(4-9(7)19)11(17-13(14)15)12(22)16-5-10(20)21/h3-4,11,18-19H,2,5H2,1H3,(H,16,22)(H,20,21)(H4,14,15,17)/t11-/m0/s1
- InChI Key： SYZOREHQSLMKDW-NSHDSACASA-N
- SMILES： OC1C=C(C=C(C=1CC)O)[C@@H](C(NCC(=O)O)=O)/N=C(\N)/N
Computed Properties
- Exact Mass: 310.12784
- Monoisotopic Mass: 310.12771969g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 6
- Complexity: 426
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.4
- Topological Polar Surface Area: 171?2
Experimental Properties
- PSA: 171.26
Glycine,(2S)-N-(aminoiminomethyl)-2-(4-ethyl-3,5-dihydroxyphenyl)glycyl- (9CI) Related Literature
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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