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1-(2-((1-(Ethoxycarbonyl)butyl)amino)propionyl)octahydro-1H-indole-2-carboxylic acid

HCID 4169159
NotesReactions
Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
82978-68-5
Standard SMILES
CCCC(NC(C)C(=O)N1C(C(=O)O)CC2CCCCC21)C(=O)OCC
InChIKey
IPVQLZZIHOAWMC-UHFFFAOYSA-N
Molecular formula
C19H32N2O5
Average molar mass
368.5 g/mol
Monoisotopic mass
368.23112212

Names & identifiers

Preferred name
1-(2-((1-(Ethoxycarbonyl)butyl)amino)propionyl)octahydro-1H-indole-2-carboxylic acid
IUPAC
1-[2-[(1-ethoxy-1-oxopentan-2-yl)amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
English name
1-[2-[[1-(ethoxycarbonyl)butyl]amino]propionyl]octahydro-1H-indole-2-carboxylic acid
Molecular formula
C19H32N2O5
Molecular weight
368.47

Names & synonyms

82978-68-51-(2-((1-(Ethoxycarbonyl)butyl)amino)propionyl)octahydro-1H-indole-2-carboxylic acidEINECS 280-080-3(+/-)-1''-epi-Perindopril1-(2-((1-ethoxy-1-oxopentan-2-yl)amino)propanoyl)octahydro-1H-indole-2-carboxylic acidPerindopril EP Impurity P1-{2-[(1-Ethoxy-1-oxopentan-2-yl)amino]propanoyl}octahydro-1H-indole-2-carboxylic acidPerindopril Impurity 211-[2-[(1-ethoxy-1-oxopentan-2-yl)amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acidSCHEMBL678114DTXSID60861053IPVQLZZIHOAWMC-UHFFFAOYSA-N
Show more names
1-[2-[[1-(ethoxycarbonyl)butyl]amino]propionyl]octahydro-1H-indole-2-carboxylic acid1H-Indole-2-carboxylic acid, 1-[2-[[1-(ethoxycarbonyl)butyl]amino]-1-oxopropyl]octahydro-
HMS3373M12STL483400AKOS0374835261-[2-[[1-(Ethoxycarbonyl)butyl]amino]-1-oxopropyl]octahydro-1H-indole-2-carboxylic acidNS000004781-{2-[(1-ethoxy-1-oxopentan-2-yl)amino]propanoyl}octahydro-1H-indole-2-carboxylic acid (non-preferred name)

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
95.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
26
Formal charge
0
Complexity
524

Experimental & physicochemical properties

DrugsPharmaceuticals

Chemistry & industry

Suppliers7 total

济南百隆化学有限公司[email protected] · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
常州衍旭科技有限公司18106123700 · [email protected]
湖北瑞诺医药科技有限公司13165688766 · [email protected]
常州翔龙医药科技有限公司18661161657 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

Related reactions

5 records
New reaction record
HRID 669283 reaction equation
HRID 669283As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1535827 reaction equation
HRID 1535827As productAs reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 2136825 reaction equation
HRID 2136825As productAs reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2141718 reaction equation
HRID 2141718As productAs reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2144473 reaction equation
HRID 2144473As productAs reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes

Database identifiers

CAS
82978-68-5
PubChem CID
4169159
DTXSID
DTXSID60861053
EC Number
280-080-3
Nikkaji
J278.702D