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2-[(2-Amino-1-hydroxypropylidene)amino]-N-[1-(2-formylpyrrolidin-1-yl)-4-methyl-1-oxopent-4-en-2-yl]-3-phenylpropanimidic acid

HCID 192542
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Basic information

CAS
151545-20-9
Standard SMILES
C=C(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C=O
InChIKey
IITUVPKVNFWTCD-FFGOWVMKSA-N
Molecular formula
C23H32N4O4
Average molar mass
428.533 g/mol
Monoisotopic mass
428.2423555

Names & identifiers

Preferred name
2-[(2-Amino-1-hydroxypropylidene)amino]-N-[1-(2-formylpyrrolidin-1-yl)-4-methyl-1-oxopent-4-en-2-yl]-3-phenylpropanimidic acid
IUPAC
(2R)-2-{[(2S)-2-Amino-1-hydroxypropylidene]amino}-N-{(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-4-methyl-1-oxopent-4-en-2-yl}-3-phenylpropanimidic acid
English name
cyclo(prolyl-alanyl-phenylalanyl-leucyl)
Molecular formula
C23H32N4O4
Molecular weight
428.53

Names & synonyms

cyclo(prolyl-alanyl-phenylalanyl-leucyl)Cyclo(L-alanyl-D-phenylalanyl-L-leucyl-L-prolyl) (9CI)(2R)-2-[[(2S)-2-aminopropanoyl]amino]-N-[(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-4-methyl-1-oxopent-4-en-2-yl]-3-phenylpropanamide

Database identifiers

CAS
151545-20-9
PubChem CID
192542
DTXSID
DTXSID70934287

Properties

Physicochemical properties

Boiling point
775.8 · 775.8±60.0 °C(Predicted)
Density
1.22 · 1.22±0.1 g/cm3(Predicted)
pka
13.29 · 13.29±0.70(Predicted)

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