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2-[(2-{[tert-Butoxy(hydroxy)methylidene]amino}-1-hydroxy-3-phenylpropylidene)amino]-N-(3-hydroxy-1-methoxy-1-oxobutan-2-yl)-4-methylpentanimidic acid

HCID 192546
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Basic information

CAS
151629-29-7
Standard SMILES
COC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](C)O
InChIKey
OYSMDYHXKMKFGB-LMCOJAPRSA-N
Molecular formula
C25H39N3O7
Average molar mass
493.601 g/mol
Monoisotopic mass
493.27880059

Names & identifiers

Preferred name
2-[(2-{[tert-Butoxy(hydroxy)methylidene]amino}-1-hydroxy-3-phenylpropylidene)amino]-N-(3-hydroxy-1-methoxy-1-oxobutan-2-yl)-4-methylpentanimidic acid
IUPAC
(2R)-2-{[(2S)-2-{[tert-Butoxy(hydroxy)methylidene]amino}-1-hydroxy-3-phenylpropylidene]amino}-N-[(2S,3R)-3-hydroxy-1-methoxy-1-oxobutan-2-yl]-4-methylpentanimidic acid
English name
tert-butyloxycarbonyl phenylalanyl-leucyl-threonine methyl ester
Molecular formula
C25H39N3O7
Molecular weight
493.59

Names & synonyms

tert-butyloxycarbonyl phenylalanyl-leucyl-threonine methyl esterL-Threonine, N-[N-[N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanyl]-D-leucyl]-, methyl ester (9CI)

Database identifiers

CAS
151629-29-7
PubChem CID
192546
DTXSID
DTXSID40934310

Properties

Physicochemical properties

Boiling point
732.1 · 732.1±60.0 °C(Predicted)
Density
1.148 · 1.148±0.06 g/cm3(Predicted)
pka
11.3 · 11.30±0.46(Predicted)

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