(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanamide

Modify Date: 2025-08-21 07:17:45

(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanamide Structure
(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanamide structure
Common Name (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanamide
CAS Number 136802-61-4 Molecular Weight 716.77900
Density 1.4g/cm3 Boiling Point 1184ºC at 760 mmHg
Molecular Formula C34H48N6O11 Melting Point N/A
MSDS N/A Flash Point 669.9ºC

 Names

Name (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanamide
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.4g/cm3
Boiling Point 1184ºC at 760 mmHg
Molecular Formula C34H48N6O11
Molecular Weight 716.77900
Flash Point 669.9ºC
Exact Mass 716.33800
PSA 299.35000
LogP 1.57070
Vapour Pressure 0mmHg at 25°C
Index of Refraction 1.637
InChIKey LCKCZRJHQCPXOW-WKGWLEJISA-N
SMILES CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(N)Cc1ccc(O)cc1)C(=O)NC1OC(CO)C(O)C(O)C1O

 Synonyms

N-(L-Leucyl)doxorubicin
N-leucyldoxorubicin
leucine-doxorubicin
L-Leucyldoxorubicin
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