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2-{[2-(Formyloxy)-1-hydroxy-4-(methylsulfanyl)butylidene]amino}-N-(1-methoxy-1-oxo-3-phenylpropan-2-yl)-4-methylpentanimidic acid

HCID 192537
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Basic information

CAS
151460-10-5
Standard SMILES
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)OC=O
InChIKey
FUXWJHUPEXJTCH-FHWLQOOXSA-N
Molecular formula
C22H32N2O6S
Average molar mass
452.573 g/mol
Monoisotopic mass
452.19810774

Names & identifiers

Preferred name
2-{[2-(Formyloxy)-1-hydroxy-4-(methylsulfanyl)butylidene]amino}-N-(1-methoxy-1-oxo-3-phenylpropan-2-yl)-4-methylpentanimidic acid
IUPAC
(2S)-2-{[(2S)-2-(Formyloxy)-1-hydroxy-4-(methylsulfanyl)butylidene]amino}-N-[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]-4-methylpentanimidic acid
English name
2-(formyloxy)-4-(methylthio)butyryl-leucyl-phenylalanine methyl ester
Molecular formula
C22H32N2O6S
Molecular weight
452.57

Names & synonyms

2-(formyloxy)-4-(methylthio)butyryl-leucyl-phenylalanine methyl esterL-Phenylalanine, N-[N-[2-(formyloxy)-4-(methylthio)-1-oxobutyl]-L-leucyl]-, methyl ester, (S)- (9CI)

Database identifiers

CAS
151460-10-5
PubChem CID
192537
DTXSID
DTXSID30934263
Nikkaji
J556.201E

Properties

Physicochemical properties

Boiling point
669.366 · 669.366±55.00 °C(Press: 760.00 Torr)(predicted)
Density
1.167 · 1.167±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka
12.641 · 12.641±0.46(predicted)

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