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

methyl (2S)-2-[[(2S)-2-[[(4S,5S)-5-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-4-hydroxy-6-phenylhexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoate

methyl (2S)-2-[[(2S)-2-[[(4S,5S)-5-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-4-hydroxy-6-phenylhexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoate structure

CAS No:
126333-28-6
Formula:
C29H47N5O7
Chemical Name:
methyl (2S)-2-[[(2S)-2-[[(4S,5S)-5-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-4-hydroxy-6-phenylhexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoate
Synonyms:
SKF 107457;SKF-107457;Skf 107457;Skf-107457;126333-28-6;Methyl N-{(4s,5s)-5-[(L-Alanyl-L-Alanyl)amino]-4-Hydroxy-6-Phenylhexanoyl}-L-Valyl-L-Valinate;BDBM903;CHEMBL49004;SCHEMBL7321482;DTXSID80155143;DB04191;5-(L-Alanyl-L-alanylamino)-4-hydroxy-6-phenylhexanoic acid, methyl valyl-valyl amide;Q27464562;L-Ala-L-Ala-[(4S,5S)-5-Benzyl-4-hydroxy-deltaNva-]-L-Val-L-Val-OMe;5-(L-Alanyl-L-alanylamino)-4-hydroxy-6-phenylhexanoic acid, methyl valyl-valyl amide;L-Valine, L-alanyl-L-alanyl-(.gamma.S, .delta.S)-.delta.-amino-.gamma.-hydroxybenzenehexanoyl-L-valyl-, methyl ester;L-Valine, L-alanyl-L-alanyl-(gammaS, deltaS)-delta-amino-gamma-hydroxybenzenehexanoyl-L-valyl-, methyl ester;methyl (2S)-2-[(2S)-2-[(4S,5S)-5-[(2S)-2-[(2S)-2-aminopropanamido]propanamido]-4-hydroxy-6-phenylhexanamido]-3-methylbutanamido]-3-methylbutanoate;methyl (2S)-2-[[(2S)-2-[[(4S,5S)-5-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]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)-5-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-4-hydroxy-6-phenylhexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoate Basic Attributes

Molecular Weight：

577.7 g/mol

Exact Mass：

577.34754886 g/mol

DSSTox ID：

DTXSID80155143

Characteristics

PSA：

189 Å²

Drug Information

MeSH Entry Terms：

SKF 107457

Computed Properties

Molecular Weight:577.7
XLogP3:1.8
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:17
Exact Mass:577.34754886
Monoisotopic Mass:577.34754886
Topological Polar Surface Area:189
Heavy Atom Count:41
Complexity:876
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Drug Information
Computed Properties
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