β-Avoparcin

CAS Registry Number®

73957-87-6
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CAS Name

β-Avoparcin

Molecular Formula

C89H101Cl2N9O36

Molecular Mass

1943.70

Cite this Page

β-Avoparcin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=73957-87-6 (retrieved 2024-04-26) (CAS RN: 73957-87-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C89H101Cl2N9O36/c1-30-66(107)46(92)26-56(125-30)133-77-37-11-18-51(45(91)21-37)130-53-23-38-22-52(78(53)136-89-79(73(114)70(111)55(29-102)132-89)134-57-27-47(93)67(108)31(2)126-57)128-40-14-7-34(8-15-40)76(135-88-75(116)72(113)69(110)54(28-101)131-88)64(99-80(117)59(94-4)33-5-12-41(13-6-33)129-87-74(115)71(112)68(109)32(3)127-87)84(121)96-61(36-10-17-49(105)44(90)20-36)81(118)97-62(38)83(120)95-60-35-9-16-48(104)42(19-35)58-43(24-39(103)25-50(58)106)63(86(123)124)98-85(122)65(77)100-82(60)119/h5-25,30-32,46-47,54-57,59-77,79,87-89,94,101-116H,26-29,92-93H2,1-4H3,(H,95,120)(H,96,121)(H,97,118)(H,98,122)(H,99,117)(H,100,119)(H,123,124)

InChIKey

InChIKey=SNYDVVWVPBSMMW-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(Cl)=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(Cl)=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-(3-chloro-4-hydroxyphenyl)-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]-7-O-α-D-mannopyranosyl-, (3′′R,4′′R)-
  • Avoparcin α, 49-chloro-
  • 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-(3-chloro-4-hydroxyphenyl)-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]-7-O-α-D-mannopyranosylvancomycin
  • Avoparcin β

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