TEICOPLANIN A3-1

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C72H69ClN8O28
Molecular Weight	1529.808
Optical Activity	UNSPECIFIED
Defined Stereocenters	18 / 18
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]%13(O[C@H]1[C@@H]2NC(=O)[C@]([H])(NC(=O)[C@]3([H])NC(=O)[C@@]4([H])NC(=O)[C@@H](CC5=CC=C(OC6=CC(OC7=C(O)C=C1C=C7)=CC3=C6)C(Cl)=C5)NC(=O)[C@H](N)C8=CC(OC9=CC4=CC(O)=C9)=C(O)C=C8)C%10=CC(=C(O)C=C%10)C%11=C(C=C(O)C=C%11O[C@H]%12O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]%12O)[C@H](NC2=O)C(O)=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%13NC(C)=O

InChI

InChIKey=DYTVXQIVJILNOQ-PIRWUWTNSA-N

InChI=1S/C72H69ClN8O28/c1-25(84)75-56-60(92)58(90)48(23-82)107-71(56)109-63-29-5-9-45(43(89)17-29)104-36-15-31-14-35(22-36)103-44-8-2-26(10-39(44)73)11-40-64(95)77-53(30-12-32(85)19-34(13-30)105-46-18-27(3-7-42(46)88)51(74)65(96)76-40)67(98)79-54(31)68(99)78-52-28-4-6-41(87)37(16-28)50-38(55(70(101)102)80-69(100)57(63)81-66(52)97)20-33(86)21-47(50)106-72-62(94)61(93)59(91)49(24-83)108-72/h2-10,12-22,40,48-49,51-63,71-72,82-83,85-94H,11,23-24,74H2,1H3,(H,75,84)(H,76,96)(H,77,95)(H,78,99)(H,79,98)(H,80,100)(H,81,97)(H,101,102)/t40-,48-,49-,51-,52-,53+,54-,55+,56-,57+,58-,59-,60-,61+,62+,63-,71+,72+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C72H69ClN8O28
Molecular Weight	1529.808
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	18 / 18
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:13:15 UTC 2023` Edited by `admin` on `Sat Dec 16 08:13:15 UTC 2023`
Record UNII	SR8H9JSC9D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TEICOPLANIN A3-1

Common Name

English

RISTOMYCIN A AGLYCONE, 34-O-(2-(ACETYLAMINO)-2-DEOXY-.BETA.-D-GLUCOPYRANOSYL)-22,31-DICHLORO-7-DEMETHYL-64-O-DEMETHYL-19-DEOXY-42-O-.ALPHA.-D-MANNOPYRANOSYL-

Systematic Name

English

Code System Code Type Description

PUBCHEM

16152170