BGC > Product Search > Pneumocandin B0 | 135575-42-7

Molecular Formula: C50H80N8O17
Molecular Weight: 1065.22

Molecular Formula: C50H80N8O17
Molecular Weight: 1065.22

Molecular Formula: C50H80N8O17
Molecular Weight: 1065.22

Molecular Formula: C50H80N8O17
Molecular Weight: 1065.22

Description :
Pneumocandin B0 is a lipopeptide antibiotic produced by Zalerion arboricola. It has a strong anti-Candida effect. It has the effect of inhibiting the synthesis of 1,3 early-glucan in vitro, with an IC50 of 0.07-0.5 μg/mL.

• Molecular Weight :1065.21
• Boiling Point :1442.9°C at 760 mmHg
• Purity :> 98%

Molecular Formula :
C50H80N8O17
Canonical SMILES :
CCC(C)CC(C)CCCCCCCCC(=O)NC1CC(C(NC(=O)C2C(CCN2C(=O)C(NC(=O)C(NC(=O)C3CC(CN3C(=O)C(NC1=O)C(C)O)O)C(C(C4=CC=C(C=C4)O)O)O)C(CC(=O)N)O)O)O)O
InChI :
InChI=1S/C50H80N8O17/c1-5-25(2)20-26(3)12-10-8-6-7-9-11-13-37(66)52-31-22-35(64)46(71)56-48(73)41-33(62)18-19-57(41)50(75)39(34(63)23-36(51)65)54-47(72)40(43(68)42(67)28-14-16-29(60)17-15-28)55-45(70)32-21-30(61)24-58(32)49(74)38(27(4)59)53-44(31)69/h14-17,25-27,30-35,38-43,46,59-64,67-68,71H,5-13,18-24H2,1-4H3,(H2,51,65)(H,52,66)(H,53,69)(H,54,72)(H,55,70)(H,56,73)/t25?,26?,27-,30-,31+,32+,33+,34-,35-,38+,39+,40+,41+,42+,43+,46-/m1/s1
InChIKey :
DQXPFAADCTZLNL-ZESADUFFSA-N
Solubility :
Soluble in DMSO
Appearance :
White Solid
Application :
antifungal
Storage : Store at -20°C
Synonyms :
L-688,786; L 688,786; L688,786; L-688786; L 688786; L688786; (3S)-(4R,5R)-N2-[(10R,12S)-10,12-Dimethyl-1-oxotetradecyl]- 4,5-dihydroxy-L-ornithyl-L-threonyl-(4R)-4-hydroxy-L-prolyl-(4S)-4-hydroxy-4-(4-hydroxyphenyl)-L-threonyl-(3R)-3-hydroxy-L-glutaminyl-3-hydroxy-L-proline (6→1)-Lactam

More details are to be found here

Description :
Pneumocandin B0 is a lipopeptide antibiotic produced by Zalerion arboricola. It has a strong anti-Candida effect. It has the effect of inhibiting the synthesis of 1,3 early-glucan in vitro, with an IC50 of 0.07-0.5 μg/mL.

• Molecular Weight :1065.21
• Boiling Point :1442.9°C at 760 mmHg
• Purity :> 98%

Molecular Formula :
C50H80N8O17
Canonical SMILES :
CCC(C)CC(C)CCCCCCCCC(=O)NC1CC(C(NC(=O)C2C(CCN2C(=O)C(NC(=O)C(NC(=O)C3CC(CN3C(=O)C(NC1=O)C(C)O)O)C(C(C4=CC=C(C=C4)O)O)O)C(CC(=O)N)O)O)O)O
InChI :
InChI=1S/C50H80N8O17/c1-5-25(2)20-26(3)12-10-8-6-7-9-11-13-37(66)52-31-22-35(64)46(71)56-48(73)41-33(62)18-19-57(41)50(75)39(34(63)23-36(51)65)54-47(72)40(43(68)42(67)28-14-16-29(60)17-15-28)55-45(70)32-21-30(61)24-58(32)49(74)38(27(4)59)53-44(31)69/h14-17,25-27,30-35,38-43,46,59-64,67-68,71H,5-13,18-24H2,1-4H3,(H2,51,65)(H,52,66)(H,53,69)(H,54,72)(H,55,70)(H,56,73)/t25?,26?,27-,30-,31+,32+,33+,34-,35-,38+,39+,40+,41+,42+,43+,46-/m1/s1
InChIKey :
DQXPFAADCTZLNL-ZESADUFFSA-N
Solubility :
Soluble in DMSO
Appearance :
White Solid
Application :
antifungal
Storage : Store at -20°C
Synonyms :
L-688,786; L 688,786; L688,786; L-688786; L 688786; L688786; (3S)-(4R,5R)-N2-[(10R,12S)-10,12-Dimethyl-1-oxotetradecyl]- 4,5-dihydroxy-L-ornithyl-L-threonyl-(4R)-4-hydroxy-L-prolyl-(4S)-4-hydroxy-4-(4-hydroxyphenyl)-L-threonyl-(3R)-3-hydroxy-L-glutaminyl-3-hydroxy-L-proline (6→1)-Lactam

More details are to be found here