Cas no 86499-39-0 (alpha-[(2,3,4,5-Tetrahydro-2-oxo-1H-1-benzazepin-3-yl)amino]benzenebutanoic acid ethyl ester)
![alpha-[(2,3,4,5-Tetrahydro-2-oxo-1H-1-benzazepin-3-yl)amino]benzenebutanoic acid ethyl ester structure](https://ossimg.kuujia.com/scimg/86500/86499-39-0x500.png)
86499-39-0 structure
Product Name:alpha-[(2,3,4,5-Tetrahydro-2-oxo-1H-1-benzazepin-3-yl)amino]benzenebutanoic acid ethyl ester
CAS No:86499-39-0
MF:C22H26N2O3
MW:366.453445911407
CID:60993
PubChem ID:46835220
Update Time:2025-04-18
alpha-[(2,3,4,5-Tetrahydro-2-oxo-1H-1-benzazepin-3-yl)amino]benzenebutanoic acid ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- alpha-[(2,3,4,5-Tetrahydro-2-oxo-1H-1-benzazepin-3-yl)amino]benzenebutanoic acid ethyl ester
- BENZENEBUTANOIC ACID, A-[(2,3,4,5-TETRAHYDRO-2-OXO-1H-1-BENZAZEPIN-3-YL)AMINO]-, ETHYL ESTER, (R*,S*)- (9CI)
- ethyl (2R)-2-[[(3S)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]amino]-4-phenylbutanoate
- AKOS015843295
- 86499-39-0
- DTXSID70676337
- SCHEMBL7756853
- Ethyl (R)-2-(((S)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl)amino)-4-phenylbutanoate
- Ethyl (2R)-2-{[(3S)-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]amino}-4-phenylbutanoate
-
- Inchi： 1S/C22H26N2O3/c1-2-27-22(26)20(14-12-16-8-4-3-5-9-16)23-19-15-13-17-10-6-7-11-18(17)24-21(19)25/h3-11,19-20,23H,2,12-15H2,1H3,(H,24,25)/t19-,20+/m0/s1
- InChI Key： AGSGQWMQZLSVCI-VQTJNVASSA-N
- SMILES： O=C1[C@H](CCC2C=CC=CC=2N1)N[C@@H](C(=O)OCC)CCC1C=CC=CC=1
Computed Properties
- Exact Mass: 366.194
- Monoisotopic Mass: 366.194
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 27
- Rotatable Bond Count: 8
- Complexity: 490
- 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
- Topological Polar Surface Area: 67.4A^2
- XLogP3: 3.8
Experimental Properties
- Density: 1.17
- PSA: 70.92000
- LogP: 3.57000
alpha-[(2,3,4,5-Tetrahydro-2-oxo-1H-1-benzazepin-3-yl)amino]benzenebutanoic acid ethyl ester Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
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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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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