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methyl 4-[[3-acetyloxy-1-oxo-1-[(2-oxo-2-phenylmethoxyethyl)amino]propan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate

methyl 4-[[3-acetyloxy-1-oxo-1-[(2-oxo-2-phenylmethoxyethyl)amino]propan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate structure

CAS No:
16295-93-5
Formula:
C27H31N3O10
Chemical Name:
methyl 4-[[3-acetyloxy-1-oxo-1-[(2-oxo-2-phenylmethoxyethyl)amino]propan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate
Synonyms:
Z-Asp(OMe)-Ser(Ac)-Gly-OCH2Ph; METHYL 3-[[2-ACETYLOXY-1-(PHENYLMETHOXYCARBONYLMETHYLCARBAMOYL)ETHYL]CARBAMOYL]-3-PHENYLMETHOXYCARBONYLAMINO-PROPANOATE; benzyl 8-[(acetyloxy)methyl]-5-(2-methoxy-2-oxoethyl)-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-oate(non-preferred name);

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methyl 4-[[3-acetyloxy-1-oxo-1-[(2-oxo-2-phenylmethoxyethyl)amino]propan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate Basic Attributes

Molecular Weight：

557.54900

Exact Mass：

557.20094419 g/mol

NSC Number：

118464

DSSTox ID：

DTXSID30297845

Characteristics

PSA：

175.43000

XLogP3：

1.92470

Density：

1.287g/cm3

Boiling Point：

807.7ºC at 760 mmHg

Flash Point：

442.3ºC

Refractive Index：

1.552

Vapor Pressure：

3.89E-26mmHg at 25°C

Computed Properties

Molecular Weight:557.5
XLogP3:1.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:18
Exact Mass:557.20094419
Monoisotopic Mass:557.20094419
Topological Polar Surface Area:175
Heavy Atom Count:40
Complexity:869
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of methyl 4-[[3-acetyloxy-1-oxo-1-[(2-oxo-2-phenylmethoxyethyl)amino]propan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate

Basic Attributes
Characteristics
Computed Properties
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