Cas no 162112-41-6 (3-[[1-(4-Aminobutylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]oxirane-2-carboxylic acid)
![3-[[1-(4-Aminobutylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]oxirane-2-carboxylic acid structure](https://ossimg.kuujia.com/scimg/162500/162112-41-6x500.png)
162112-41-6 structure
Product Name:3-[[1-(4-Aminobutylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]oxirane-2-carboxylic acid
CAS No:162112-41-6
MF:C17H23N3O5
MW:349.38162446022
CID:209303
Update Time:2024-03-01
3-[[1-(4-Aminobutylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]oxirane-2-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- Oxiranecarboxylic acid,3-[[[(1S)-2-[(4-aminobutyl)amino]-2-oxo-1-(phenylmethyl)ethyl]amino]carbonyl]-,(2S,3S)- (9CI)
- Cathestatin A
- Oxiranecarboxylicacid, 3-[[[2-[(4-aminobutyl)amino]-2-oxo-1-(phenylmethyl)ethyl]amino]carbonyl]-,[2S-[2a,3b(R*)]]-
- 3-[[1-(4-Aminobutylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]oxirane-2-carboxylic acid
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- Inchi： 1S/C17H23N3O5/c18-8-4-5-9-19-15(21)12(10-11-6-2-1-3-7-11)20-16(22)13-14(25-13)17(23)24/h1-3,6-7,12-14H,4-5,8-10,18H2,(H,19,21)(H,20,22)(H,23,24)
- InChI Key： ZERGYHMBBZCBJM-UHFFFAOYSA-N
- SMILES： O1C(C(=O)O)C1C(NC(C(NCCCCN)=O)CC1C=CC=CC=1)=O
Computed Properties
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 25
- Rotatable Bond Count: 10
- Complexity: 479
- Topological Polar Surface Area: 134
3-[[1-(4-Aminobutylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]oxirane-2-carboxylic acid Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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