CAS 58814-86-1

N-{(2S,3S,3aR,6R,7R,12S,16R,17aS,20S,23S)-20-[(1S,2S)-1,2-dihydroxy-3-(4-hydroxyphenyl)propyl]-3,6,7,16-tetrahydroxy-12,23-bis[(1R)-1-hydroxyethyl]-2-methyl-10,13,18,21,24-pentaoxodocosahydro-5H,15H-dipyrrolo[1,2-k:1',2'-t][1,2,8,11,14,17,20]oxahexaazacyc

Description:

The chemical substance with the name provided, along with the CAS number 58814-86-1, is a complex organic compound characterized by its intricate molecular structure, which includes multiple stereocenters and functional groups. This compound features a polycyclic framework, incorporating both oxo and hydroxy functional groups, which contribute to its potential biological activity. The presence of multiple hydroxyl groups suggests that it may exhibit strong hydrogen bonding capabilities, influencing its solubility and reactivity. Additionally, the stereochemistry indicated by the (S) and (R) designations implies that the compound may have specific spatial arrangements that could affect its interaction with biological targets, such as enzymes or receptors. Such structural complexity often correlates with unique pharmacological properties, making it of interest in medicinal chemistry. Overall, this substance exemplifies the diversity found in organic compounds, particularly those with potential therapeutic applications.

Formula: C₅₀H₈₁N₇O₁₆

InChI: InChI=1S/C50H81N7O16/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-36(63)51-33-24-35(62)46(69)55-48(71)40-41(64)27(2)25-57(40)50(73)38(29(4)59)53-47(70)39(43(66)42(65)30-19-21-31(60)22-20-30)54-45(68)34-23-32(61)26-56(34)49(72)37(28(3)58)52-44(33)67/h19-22,27-29,32-35,37-43,46,58-62,64-66,69H,5-18,23-26H2,1-4H3,(H,51,63)(H,52,67)(H,53,70)(H,54,68)(H,55,71)

InChI key: InChIKey=YKPHLXGEPNYRPY-UHFFFAOYSA-N

SMILES: O=C1N2C(C(O)C(C)C2)C(=O)NC(O)C(O)CC(NC(CCCCCCCCCCCCCCC)=O)C(=O)NC(C(C)O)C(=O)N3C(C(=O)NC(C(C(O)C4=CC=C(O)C=C4)O)C(=O)NC1C(C)O)CC(O)C3

Synonyms:

• 1H-Dipyrrolo[2,1-c:2′,1′-l][1,4,7,10,13,16]hexaazacycloheneicosine, cyclic peptide deriv.
• L-Proline, (4R,5R)-4,5-dihydroxy-N2-(1-oxohexadecyl)-L-ornithyl-L-threonyl-trans-4-hydroxy-L-prolyl-(S)-4-hydroxy-4-(4-hydroxyphenyl)-L-threonyl-L-threonyl-3-hydroxy-4-methyl-, cyclic (6→1)-peptide, (2α,3β,4β)-
• Aculeacin A
• Echinocandin B, 1-[(4R,5R)-4,5-dihydroxy-N2-(1-oxohexadecyl)-L-ornithine]-
• aculeacins
• aculeacina
• Aculeacin A (9CI)
• ACULEACIN A FROM ASPERGILLUS ACULEATUS

Aculeacin A

CAS: 58814-86-1

Formula: C₅₀H₈₁N₇O₁₆

Molecular weight: 1036.22

Ref: 7W-GA3866

Aculeacin A

CAS: 58814-86-1

Aculeacin A inhibits β-glucan synthesis in yeast, blocking glucan synthase, and is used to study antibiotic resistance and Candida transformations.

Formula: C₅₀H₈₁N₇O₁₆

Color and Shape: Solid

Molecular weight: 1036.22

Ref: TM-T69051