methyl (3S)-3-hydroxy-4-[[(2S)-2-[[3-hydroxy-4-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methylbutanoyl]amino]-5-phenylpentanoyl]amino]propanoyl]amino]-6-methylheptanoate

Modify Date: 2025-09-19 16:44:52

methyl (3S)-3-hydroxy-4-[[(2S)-2-[[3-hydroxy-4-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methylbutanoyl]amino]-5-phenylpentanoyl]amino]propanoyl]amino]-6-methylheptanoate Structure
methyl (3S)-3-hydroxy-4-[[(2S)-2-[[3-hydroxy-4-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methylbutanoyl]amino]-5-phenylpentanoyl]amino]propanoyl]amino]-6-methylheptanoate structure
Common Name methyl (3S)-3-hydroxy-4-[[(2S)-2-[[3-hydroxy-4-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methylbutanoyl]amino]-5-phenylpentanoyl]amino]propanoyl]amino]-6-methylheptanoate
CAS Number 145031-49-8 Molecular Weight 847.99300
Density 1.224g/cm3 Boiling Point 1117.7ºC at 760mmHg
Molecular Formula C45H61N5O11 Melting Point N/A
MSDS N/A Flash Point 629.7ºC

 Names

Name methyl (3S)-3-hydroxy-4-[[(2S)-2-[[3-hydroxy-4-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methylbutanoyl]amino]-5-phenylpentanoyl]amino]propanoyl]amino]-6-methylheptanoate

 Chemical & Physical Properties

Density 1.224g/cm3
Boiling Point 1117.7ºC at 760mmHg
Molecular Formula C45H61N5O11
Molecular Weight 847.99300
Flash Point 629.7ºC
Exact Mass 847.43700
PSA 259.17000
LogP 6.37420
Vapour Pressure 0mmHg at 25°C
Index of Refraction 1.568
InChIKey XVLDWWHPKZNIEX-LEPHUZGGSA-N
SMILES COC(=O)CC(O)C(CC(C)C)NC(=O)C(C)NC(=O)CC(O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(C)C
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