α-Avoparcin

CAS Registry Number®

73957-86-5

CAS Name

α-Avoparcin

Molecular Formula

C89H102ClN9O36

Molecular Mass

1909.25

Cite this Page

α-Avoparcin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=73957-86-5 (retrieved 2024-11-22) (CAS RN: 73957-86-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C89H102ClN9O36/c1-31-66(106)47(91)27-56(124-31)132-77-38-12-20-51(46(90)22-38)129-53-24-39-23-52(78(53)135-89-79(73(113)70(110)55(30-101)131-89)133-57-28-48(92)67(107)32(2)125-57)127-42-17-9-36(10-18-42)76(134-88-75(115)72(112)69(109)54(29-100)130-88)64(98-80(116)59(93-4)34-7-15-43(16-8-34)128-87-74(114)71(111)68(108)33(3)126-87)84(120)94-60(35-5-13-40(102)14-6-35)81(117)96-62(39)83(119)95-61-37-11-19-49(104)44(21-37)58-45(25-41(103)26-50(58)105)63(86(122)123)97-85(121)65(77)99-82(61)118/h5-26,31-33,47-48,54-57,59-77,79,87-89,93,100-115H,27-30,91-92H2,1-4H3,(H,94,120)(H,95,119)(H,96,117)(H,97,121)(H,98,116)(H,99,118)(H,122,123)

InChIKey

InChIKey=XQKGPVCSSWFILW-UHFFFAOYSA-N

SMILES

O(C=1C2=CC3=CC1OC=4C=CC(=CC4)C(OC5OC(CO)C(O)C(O)C5O)C(NC(C(NC)C6=CC=C(OC7C(O)C(O)C(O)C(C)O7)C=C6)=O)C(=O)NC(C(=O)NC3C(=O)NC8C=9C=C(C=%10C(C(C(O)=O)NC(=O)C(C(OC%11CC(N)C(O)C(C)O%11)C=%12C=C(Cl)C(O2)=CC%12)NC8=O)=CC(O)=CC%10O)C(O)=CC9)C%13=CC=C(O)C=C%13)C%14C(OC%15CC(N)C(O)C(C)O%15)C(O)C(O)C(CO)O%14

Canonical SMILES

O=C(O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C(NC(=O)C(NC(=O)C(NC)C4=CC=C(OC5OC(C)C(O)C(O)C5O)C=C4)C(OC6OC(CO)C(O)C(O)C6O)C7=CC=C(OC=8C=C3C=C(OC9=CC=C(C=C9Cl)C2OC%10OC(C)C(O)C(N)C%10)C8OC%11OC(CO)C(O)C(O)C%11OC%12OC(C)C(O)C(N)C%12)C=C7)C%13=CC=C(O)C=C%13)C=%14C=CC(O)=C(C%14)C%15=C(O)C=C(O)C=C%151

Other Names for this Substance

  • Vancomycin, 22-O-(3-amino-2,3,6-trideoxy-α-L-ribo-hexopyranosyl)-3-de(2-amino-2-oxoethyl)-10-dechloro-3′′-demethyl-49-de[4-methyl-2-(methylamino)-1-oxopentyl]-49-[(2R)-2-[4-[(6-deoxy-α-L-mannopyranosyl)oxy]phenyl]-2-(methylamino)acetyl]-3-(4-hydroxyphenyl)-7-O-α-D-mannopyranosyl-, (3′′R,4′′R)-
  • Avoparcin α
  • Vancomycin, 22-O-(3-amino-2,3,6-trideoxy-α-L-ribo-hexopyranosyl)-3-de(2-amino-2-oxoethyl)-10-dechloro-3′′-demethyl-49-de[4-methyl-2-(methylamino)-1-oxopentyl]-49-[(2R)-[4-[(6-deoxy-α-L-mannopyranosyl)oxy]phenyl](methylamino)acetyl]-3-(4-hydroxyphenyl)-7-O-α-D-mannopyranosyl-, (3′′R,4′′R)-
  • 22H-8,11:18,21-Dietheno-23,36-(iminomethano)-13,16:31,35-dimetheno-1H,16H-[1,6,9]oxadiazacyclohexadecino[4,5-m][10,2,16]benzoxadiazacyclotetracosine, avoparcin α deriv.
  • (3′′R,4′′R)-22-O-(3-Amino-2,3,6-trideoxy-α-L-ribo-hexopyranosyl)-3-de(2-amino-2-oxoethyl)-10-dechloro-3′′-demethyl-49-de[4-methyl-2-(methylamino)-1-oxopentyl]-49-[(2R)-2-[4-[(6-deoxy-α-L-mannopyranosyl)oxy]phenyl]-2-(methylamino)acetyl]-3-(4-hydroxyphenyl)-7-O-α-D-mannopyranosylvancomycin

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration