1432-27-5 ((2-[(2-aminoacetyl)amino]-3-(1h-indol-3-yl)propanoic Acid)

快速询单

结构式：

2-[(2-aminoacetyl)amino]-3-(1h-indol-3-yl)propanoic AcidMOL文件

CAS号：

1432-27-5

英文名称：

2-[(2-aminoacetyl)amino]-3-(1h-indol-3-yl)propanoic Acid

分子式：

C₁₃H₁₅N₃O₃

分子量：

261.276502847672

2-[(2-aminoacetyl)amino]-3-(1h-indol-3-yl)propanoic Acid(1432-27-5)名称与标识符

名称

英文别名：

2-[(2-aminoacetyl)amino]-3-(1h-indol-3-yl)propanoic Acid;Glycyl-DL-tryptophan (H-Gly-DL-Trp-OH);2-(2-aminoacetamido)-3-(1H-indol-3-yl)propanoicacid;BDBM50085090;Glycyl-DL-tryptophan;G-W Dipeptide;AS-69058;DB-045721;GLYCYL-D,L-TRYPTOPHAN;DL-Tryptophan, N-glycyl-;CHEMBL158927;NSC-522848;EINECS 218-581-6;AKOS000577576;N-(Aminoacetyl)tryptophan #;1432-27-5;NSC118371;InChI=1/C13H15N3O3/c14-6-12(17)16-11(13(18)19)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6,14H2,(H,16,17)(H,18,19);N-Glycyl-DL-tryptophan;EN300-6737922;NSC-118371;NSC119997;CS-0344661;DTXSID901315302;MFCD00022767;G0190;AKOS017259258;NSC522848;L-Glycyl-L-Tryptophan;GW dipeptide;NSC-119997;Glycyl-DL-tryptophane;AJHCSUXXECOXOY-UHFFFAOYSA-;CBDivE_014279;J-014333;2-(2-Amino-acetylamino)-3-(1H-indol-3-yl)-propionic acid;DB-046289;SCHEMBL1407978;Glycine-Tryptophan dipeptide;2-(2-aminoacetamido)-3-(1H-indol-3-yl)propanoic acid;2189-26-6;Glycine Tryptophan dipeptide;CAA18926;H-Gly-DL-Trp-OH;

标识符

InChIKey：

AJHCSUXXECOXOY-UHFFFAOYSA-N

Inchi：

1S/C13H15N3O3/c14-6-12(17)16-11(13(18)19)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6,14H2,(H,16,17)(H,18,19)

SMILES：

OC(C(CC1=CNC2C=CC=CC1=2)NC(CN)=O)=O

2-[(2-aminoacetyl)amino]-3-(1h-indol-3-yl)propanoic Acid(1432-27-5)物化性质

实验特性

LogP : 1.32970
PSA : 109.76

计算特性

精确分子量 : 260.10362
氢键供体数量 : 4
氢键受体数量 : 4
可旋转化学键数量 : 5
同位素质量 : 261.11134135g/mol
重原子数量 : 19
复杂度 : 348
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 1
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : -2.6
拓扑分子极性表面积 : 108Å²

2-[(2-aminoacetyl)amino]-3-(1h-indol-3-yl)propanoic Acid(1432-27-5)相关文献

1. Oxidation of free, peptide and protein tryptophan residues mediated by AAPH-derived free radicals: role of alkoxyl and peroxyl radicals
E. Fuentes-Lemus,E. Dorta,E. Escobar,A. Aspée,E. Pino,M. L. Abasq,H. Speisky,E. Silva,E. Lissi,M. J. Davies,C. López-Alarcón RSC Adv. 2016 6 57948
2. Kinetics of the interaction of sulfate and hydrogen phosphate radicals with small peptides of glycine, alanine, tyrosine and tryptophan
Gabriela Bosio,Susana Criado,Walter Massad,Felipe J. Rodríguez Nieto,Mónica C. Gonzalez,Norman A. García,Daniel O. Mártire Photochem. Photobiol. Sci. 2005 4 840
3. Radiometallated peptides for molecular imaging and targeted therapy
Jo?o D. G. Correia,António Paulo,Paula D. Raposinho,Isabel Santos Dalton Trans. 2011 40 6144
4. Tryptophan association in water driven by charge-transfer interactions with electron-deficient aromatic haptens
Estela Sánchez-Santos,José J. Garrido-González,Ligzajaya F. Rodríguez-Sahagún,Asmaa Habib,ángel L. Fuentes de Arriba,Francisca Sanz,Eva M. Martín del Valle,Joaquín R. Morán,Victoria Alcázar Org. Biomol. Chem. 2022 20 7972
5. Exploring cucurbit[6]uril–peptide interactions in the solid state: crystal structure of cucurbit[6]uril complexes with glycyl-containing dipeptides
Oksana Danylyuk CrystEngComm 2017 19 3892
6. Conformers of the peptides glycine-tryptophan, tryptophan-glycine and tryptophan-glycine-glycine as revealed by double resonance laser spectroscopy
I. Hünig,K. Kleinermanns Phys. Chem. Chem. Phys. 2004 6 2650
7. The electronic spectra of small peptides in the gas phase
John R. Cable,Michael J. Tubergen,Donald H. Levy Faraday Discuss. Chem. Soc. 1988 86 143
8. Traceless reductive ligation at a tryptophan site: a facile access to β-hydroxytryptophan appended peptides
Kiran Bajaj,Rajeev Sakhuja,Girinath G. Pillai Org. Biomol. Chem. 2016 14 9578
9. Photodynamics of Lys+-Trp protein motifs: Hydrogen bonds ensure photostability
Matteo Guglielmi,Manuel Doemer,Ivano Tavernelli,Ursula Rothlisberger Faraday Discuss. 2013 163 189
10. A peptide-based multifunctional fluorescent probe for Cu2+, Hg2+ and biothiols
Xuliang Pang,Lei Gao,Huiyun Feng,Xudong Li,Jinming Kong,Lianzhi Li New J. Chem. 2018 42 15770

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