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

Modify Date: 2024-02-29 09:32:22

methyl (3S)-3-hydroxy-4-[[(2S)-2-[[(3S,4S)-3-hydroxy-5-(4-hydroxyphenyl)-4-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]propanoyl]amino]-6-methylheptanoate Structure
methyl (3S)-3-hydroxy-4-[[(2S)-2-[[(3S,4S)-3-hydroxy-5-(4-hydroxyphenyl)-4-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]propanoyl]amino]-6-methylheptanoate structure
Common Name methyl (3S)-3-hydroxy-4-[[(2S)-2-[[(3S,4S)-3-hydroxy-5-(4-hydroxyphenyl)-4-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]propanoyl]amino]-6-methylheptanoate
CAS Number 145031-51-2 Molecular Weight 863.99200
Density 1.25g/cm3 Boiling Point 1150.1ºC at 760 mmHg
Molecular Formula C45H61N5O12 Melting Point N/A
MSDS N/A Flash Point 649.3ºC

 Names

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

 Chemical & Physical Properties

Density 1.25g/cm3
Boiling Point 1150.1ºC at 760 mmHg
Molecular Formula C45H61N5O12
Molecular Weight 863.99200
Flash Point 649.3ºC
Exact Mass 863.43200
PSA 279.40000
LogP 6.07980
Vapour Pressure 0mmHg at 25°C
Index of Refraction 1.576
InChIKey TYCRLOOVFOQWTA-VMDKVOEYSA-N
SMILES COC(=O)CC(O)C(CC(C)C)NC(=O)C(C)NC(=O)CC(O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(C)C
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