Chlorobiphenyl-desleucyl-vancomycin (Q27110142)

From Wikidata

Jump to navigation Jump to search

chemical compound

Language	Label	Description	Also known as
English	Chlorobiphenyl-desleucyl-vancomycin	chemical compound

Statements

type of chemical entity

0 references

chemical compound

0 references

1,520.369764±0 dalton

1 reference

language of work or name

Chlorobiphenyl-desleucyl-vancomycin (English)

5 October 2016

chemical formula

C₇₂H₇₁Cl₃N₈O₂₃

1 reference

language of work or name

Chlorobiphenyl-desleucyl-vancomycin (English)

5 October 2016

canonical SMILES

CC1C(C(CC(O1)OC2C(C(C(OC2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)C(C(C(=O)NC(C(=O)NC5C(=O)NC7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9C(NC(=O)C(C(C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)O)O)CC(=O)N)N)O)Cl)CO)O)O)(C)NCC1=CC=C(C=C1)C1=CC=C(C=C1)Cl)O

1 reference

language of work or name

Chlorobiphenyl-desleucyl-vancomycin (English)

5 October 2016

isomeric SMILES

C[C@H]1[C@H]([C@@](C[C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9[C@H](NC(=O)[C@H]([C@@H](C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)O)O)CC(=O)N)N)O)Cl)CO)O)O)(C)NCC1=CC=C(C=C1)C1=CC=C(C=C1)Cl)O

1 reference

language of work or name

Chlorobiphenyl-desleucyl-vancomycin (English)

5 October 2016

Identifiers

InChI=1S/C72H71Cl3N8O23/c1-28-64(93)72(2,78-26-29-3-5-30(6-4-29)31-7-12-36(73)13-8-31)25-51(101-28)105-63-61(92)60(91)49(27-84)104-71(63)106-62-47-20-35-21-48(62)103-46-16-11-34(19-41(46)75)59(90)57-69(98)82-56(70(99)100)39-22-37(85)23-44(87)52(39)38-17-32(9-14-43(38)86)54(67(96)83-57)81-68(97)55(35)80-65(94)42(24-50(76)88)79-66(95)53(77)58(89)33-10-15-45(102-47)40(74)18-33/h3-23,28,42,49,51,53-61,63-64,71,78,84-87,89-93H,24-27,77H2,1-2H3,(H2,76,88)(H,79,95)(H,80,94)(H,81,97)(H,82,98)(H,83,96)(H,99,100)/t28-,42-,49+,51-,53+,54+,55+,56-,57-,58+,59+,60+,61-,63+,64+,71-,72-/m0/s1

1 reference

based on heuristic

inferred from SMILES

AAPHCFFPXJQKHX-XDMXBEBWSA-N

2 references

language of work or name

Chlorobiphenyl-desleucyl-vancomycin (English)

5 October 2016

ChEBI release 2020-09-01

1 reference

language of work or name

(1S,2R,18R,19R,22S,25R,28R,40S)-19-Amino-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-{[2-O-(3-{[(4'-chloro-4-biphenylyl)methyl]amino}-2,3,6-trideoxy-3-methyl-alpha-L-lyxo-hexopyranosyl)-beta-D-glucopyran (English)

5 October 2016

2 references

language of work or name

Chlorobiphenyl-desleucyl-vancomycin (English)

5 October 2016

matched by identifier from

AAPHCFFPXJQKHX-XDMXBEBWSA-N

mapping relation type

2 references

language of work or name

Chlorobiphenyl-desleucyl-vancomycin (English)

5 October 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C72H71Cl3N8O23/c1-28-64(93)72(2,78-26-29-3-5-30(6-4-29)31-7-12-36(73)13-8-31)25-51(101-28)105-63-61(92)60(91)49(27-84)104-71(63)106-62-47-20-35-21-48(62)103-46-16-11-34(19-41(46)75)59(90)57-69(98)82-56(70(99)100)39-22-37(85)23-44(87)52(39)38-17-32(9-14-43(38)86)54(67(96)83-57)81-68(97)55(35)80-65(94)42(24-50(76)88)79-66(95)53(77)58(89)33-10-15-45(102-47)40(74)18-33/h3-23,28,42,49,51,53-61,63-64,71,78,84-87,89-93H,24-27,77H2,1-2H3,(H2,76,88)(H,79,95)(H,80,94)(H,81,97)(H,82,98)(H,83,96)(H,99,100)/t28-,42-,49+,51-,53+,54+,55+,56-,57-,58+,59+,60+,61-,63+,64+,71-,72-/m0/s1

UniChem compound ID

1 reference

1 reference

language of work or name

Chlorobiphenyl-desleucyl-vancomycin (English)

5 October 2016

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)

Retrieved from "https://www.wikidata.org/w/index.php?title=Q27110142&oldid=2167411773"