 Home > Encyclopedia > methyl (2S)-2-[[(2S)-2-[[(4S,5S)-4-hydroxy-6-phenyl-5-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoate

methyl (2S)-2-[[(2S)-2-[[(4S,5S)-4-hydroxy-6-phenyl-5-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoate

methyl (2S)-2-[[(2S)-2-[[(4S,5S)-4-hydroxy-6-phenyl-5-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoate structure

CAS No:
126380-02-7
Formula:
C34H48N4O8
Chemical Name:
methyl (2S)-2-[[(2S)-2-[[(4S,5S)-4-hydroxy-6-phenyl-5-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoate
Synonyms:
CHEMBL49936;126380-02-7;L-Valine, N-(N-(4-hydroxy-1-oxo-5-((1-oxo-2-(((phenylmethoxy)carbonyl)amino)propyl)amino)-6-phenylhexyl)-L-valyl)-, methyl ester, (4S-(4R*,5R*(R*)))-;L-Valine, N-[N-[4-hydroxy-1-oxo-5-[[1-oxo-2-[[(phenylmethoxy)carbonyl]amino]propyl]amino]-6-phenylhexyl]-L-valyl]-, methyl ester, [4S-[4R*,5R*(R*)]]-;Cbz-Ala-Phepsi(CH(OH)CH2)Gly-Val-Val-OCH3;SCHEMBL7329209;DTXSID80155168;BDBM50000738;Cbz-Ala-Phe.psi.[CH(OH)CH2]Gly-Val-Val-OCH3;Methyl (2S)-2-[(2S)-2-(5-{(2S)-2-[(phenylmethoxy)carbonylamino]propanoylamino}(4S,5S)-4-hydroxy-6-phenylhexanoylamino)-3-methylbutanoylamino]-3-methylbutanoate;methyl (2S)-2-[[(2S)-2-[[(4S,5S)-5-[[(2S)-2-(benzyloxycarbonylamino)propanoyl]amino]-4-hydroxy-6-phenyl-hexanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoate

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methyl (2S)-2-[[(2S)-2-[[(4S,5S)-4-hydroxy-6-phenyl-5-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoate Basic Attributes

Molecular Weight：

640.8 g/mol

Exact Mass：

640.34721450 g/mol

DSSTox ID：

DTXSID80155168

Characteristics

PSA：

172 Å²

Computed Properties

Molecular Weight:640.8
XLogP3:4.2
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:19
Exact Mass:640.34721450
Monoisotopic Mass:640.34721450
Topological Polar Surface Area:172
Heavy Atom Count:46
Complexity:978
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of methyl (2S)-2-[[(2S)-2-[[(4S,5S)-4-hydroxy-6-phenyl-5-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoate

Basic Attributes
Characteristics
Computed Properties
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