N-(5-Oxo-L-Pro-L-Gln-L-Gln-L-Lac-L-Pro-N-methyl-D-Leu-)cyclo[L-Thr*-[(3S,4R)-3-hydroxy-4-[(S)-1-methylpropyl]-γAbu-]-[(2S,4S)-4-hydroxy*-2,5-dimethyl-3-oxohexanoyl]-L-Leu-L-Pro-N,O-dimethyl-L-Tyr-]

CAS No.
97230-31-4
Chemical Name:
N-(5-Oxo-L-Pro-L-Gln-L-Gln-L-Lac-L-Pro-N-methyl-D-Leu-)cyclo[L-Thr*-[(3S,4R)-3-hydroxy-4-[(S)-1-methylpropyl]-γAbu-]-[(2S,4S)-4-hydroxy*-2,5-dimethyl-3-oxohexanoyl]-L-Leu-L-Pro-N,O-dimethyl-L-Tyr-]
Synonyms
Didemnin E;N-(5-Oxo-L-Pro-L-Gln-L-Gln-L-Lac-L-Pro-N-methyl-D-Leu-)cyclo[L-Thr*-[(3S,4R)-3-hydroxy-4-[(S)-1-methylpropyl]-γAbu-]-[(2S,4S)-4-hydroxy*-2,5-dimethyl-3-oxohexanoyl]-L-Leu-L-Pro-N,O-dimethyl-L-Tyr-];L-Tyrosine, 5-oxo-L-prolyl-L-glutaminyl-L-glutaminyl-(2S)-2-hydroxypropanoyl-L-prolyl-N-methyl-D-leucyl-L-allothreonyl-(3S,4R,5S)-4-amino-3-hydroxy-5-methylheptanoyl-(2S,4S)-4-hydroxy-2,5-dimethyl-3-oxohexanoyl-L-leucyl-L-prolyl-N,O-dimethyl-, (12→7)-lactone;[1-[(2S)-2-[[(2S)-1-[[(3R,6S,8S,12S,13S,16S,17S,23S)-13-butan-2-yl-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]amino]-4-methyl-1-oxopentan-2-yl]-methylcarbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl] (2S)-5-amino-2-[[(2S)-5-amino-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]-5-oxopentanoate
CBNumber:
CB62331762
Molecular Formula:
C72H110N12O21
Molecular Weight:
1479.74
MDL Number:
MOL File:
97230-31-4.mol

N-(5-Oxo-L-Pro-L-Gln-L-Gln-L-Lac-L-Pro-N-methyl-D-Leu-)cyclo[L-Thr*-[(3S,4R)-3-hydroxy-4-[(S)-1-methylpropyl]-γAbu-]-[(2S,4S)-4-hydroxy*-2,5-dimethyl-3-oxohexanoyl]-L-Leu-L-Pro-N,O-dimethyl-L-Tyr-] Properties

Boiling point 1638.8±65.0 °C(Predicted)
Density 1.31±0.1 g/cm3(Predicted)
pka 11.28±0.70(Predicted)

N-(5-Oxo-L-Pro-L-Gln-L-Gln-L-Lac-L-Pro-N-methyl-D-Leu-)cyclo[L-Thr*-[(3S,4R)-3-hydroxy-4-[(S)-1-methylpropyl]-γAbu-]-[(2S,4S)-4-hydroxy*-2,5-dimethyl-3-oxohexanoyl]-L-Leu-L-Pro-N,O-dimethyl-L-Tyr-] Preparation Products And Raw materials

Raw materials

Preparation Products

Didemnin E N-(5-Oxo-L-Pro-L-Gln-L-Gln-L-Lac-L-Pro-N-methyl-D-Leu-)cyclo[L-Thr*-[(3S,4R)-3-hydroxy-4-[(S)-1-methylpropyl]-γAbu-]-[(2S,4S)-4-hydroxy*-2,5-dimethyl-3-oxohexanoyl]-L-Leu-L-Pro-N,O-dimethyl-L-Tyr-] [1-[(2S)-2-[[(2S)-1-[[(3R,6S,8S,12S,13S,16S,17S,23S)-13-butan-2-yl-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]amino]-4-methyl-1-oxopentan-2-yl]-methylcarbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl] (2S)-5-amino-2-[[(2S)-5-amino-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]-5-oxopentanoate L-Tyrosine, 5-oxo-L-prolyl-L-glutaminyl-L-glutaminyl-(2S)-2-hydroxypropanoyl-L-prolyl-N-methyl-D-leucyl-L-allothreonyl-(3S,4R,5S)-4-amino-3-hydroxy-5-methylheptanoyl-(2S,4S)-4-hydroxy-2,5-dimethyl-3-oxohexanoyl-L-leucyl-L-prolyl-N,O-dimethyl-, (12→7)-lactone 97230-31-4 C72H110N12O21