Cas no 198710-92-8 (Kaitocephalin)
Kaitocephalin structure
Product Name:Kaitocephalin
CAS No:198710-92-8
MF:C18H21Cl2N3O9
MW:494.280043363571
CID:2731137
PubChem ID:11329395
Update Time:2024-03-01
Kaitocephalin Chemical and Physical Properties
Names and Identifiers
-
- Kaitocephalin
- (-)-Kaitocephalin
- 9B96C79PCS
- (2R,5R)-2-[(1S,2R)-2-amino-2-carboxy-1-hydroxyethyl]-5-[(2S)-2-carboxy-2-[(3,5-dichloro-4-hydroxybenzoyl)amino]ethyl]pyrrolidine-2-carboxylic acid
- (5r)-2-[(1s,2r)-2-Amino-2-Carboxy-1-Hydroxyethyl]-5-{(2s)-2-Carboxy-2-[(3,5-Dichloro-4-Hydroxybenzoyl)amino]ethyl}-L-Proline
- 2,5-Pyrrolidinedipropanoic acid, alpha2-amino-2-carboxy-alpha5-((3,5-dichloro-4-hydroxybenzoyl)amino)-beta2-hydroxy-, (alpha2R,alpha5S,beta2S,2R,5R)-
- 198710-92-8
- PF-1191
- Q27272312
- DTXSID801316521
- 0YS
- 2,5-PYRROLIDINEDIPROPANOIC ACID, .ALPHA.2-AMINO-2-CARBOXY-.ALPHA.5-((3,5-DICHLORO-4-HYDROXYBENZOYL)AMINO)-.BETA.2-HYDROXY-, (.ALPHA.2R,.ALPHA.5S,.BETA.2S,2R,5R)-
- UNII-9B96C79PCS
- 2,5-Pyrrolidinedipropanoic acid, alpha2-amino-2-carboxy-alpha5-[(3,5-dichloro-4-hydroxybenzoyl)amino]-beta2-hydroxy-, (alpha2R,alpha5S,beta2S,2R,5R)-
-
- Inchi： 1S/C18H21Cl2N3O9/c19-8-3-6(4-9(20)12(8)24)14(26)22-10(15(27)28)5-7-1-2-18(23-7,17(31)32)13(25)11(21)16(29)30/h3-4,7,10-11,13,23-25H,1-2,5,21H2,(H,22,26)(H,27,28)(H,29,30)(H,31,32)/t7-,10+,11-,13+,18-/m1/s1
- InChI Key： AJQRDRIPQOAJCM-BWOKQULHSA-N
- SMILES： ClC1C(=C(C=C(C=1)C(N[C@H](C(=O)O)C[C@H]1CC[C@](C(=O)O)([C@H]([C@H](C(=O)O)N)O)N1)=O)Cl)O
Computed Properties
- Exact Mass: 493.0654846g/mol
- Monoisotopic Mass: 493.0654846g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 8
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 32
- Rotatable Bond Count: 9
- Complexity: 745
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -4.8
- Topological Polar Surface Area: 220
Kaitocephalin Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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