TALISOMYCIN B

Details

Stereochemistry	UNKNOWN
Molecular Formula	C62H98N20O26S2
Molecular Weight	1603.69
Optical Activity	UNSPECIFIED
Defined Stereocenters	23 / 25
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]7(O[C@@]1([H])[C@@H](O)[C@H](O)[C@H](CO)O[C@@]1([H])O[C@H]([C@H](NC(=O)C2=NC(=NC(N)=C2C)[C@H](CC(N)=O)NC[C@H](N)C(N)=O)C(=O)N[C@H](C)[C@@H](O)CC(=O)N[C@@H]([C@@H](C)O)C(=O)NC(O[C@@H]3O[C@@H](C)[C@@H](N)[C@@H](O)[C@H]3O)C(O)C4=NC(=CS4)C5=NC(=CS5)C(=O)NCCCNCCCCN)C6=CNC=N6)O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]7O

InChI

InChIKey=JBMBADLYKKSXRS-FUATYRKLSA-N

InChI=1S/C62H98N20O26S2/c1-21-36(79-51(81-49(21)67)26(12-33(65)87)73-14-25(64)50(68)96)53(98)80-38(46(27-15-71-20-74-27)105-61-48(42(92)39(89)31(16-83)104-61)106-60-44(94)47(107-62(69)101)40(90)32(17-84)103-60)55(100)75-22(2)30(86)13-34(88)78-37(23(3)85)54(99)82-56(108-59-43(93)41(91)35(66)24(4)102-59)45(95)58-77-29(19-110-58)57-76-28(18-109-57)52(97)72-11-7-10-70-9-6-5-8-63/h15,18-20,22-26,30-32,35,37-48,56,59-61,70,73,83-86,89-95H,5-14,16-17,63-64,66H2,1-4H3,(H2,65,87)(H2,68,96)(H2,69,101)(H,71,74)(H,72,97)(H,75,100)(H,78,88)(H,80,98)(H,82,99)(H2,67,79,81)/t22-,23-,24+,25+,26+,30+,31+,32-,35-,37+,38+,39-,40-,41-,42+,43-,44+,45?,46+,47+,48+,56?,59+,60-,61+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C62H98N20O26S2
Molecular Weight	1603.69
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	23 / 25
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:11:36 GMT 2023` Edited by `admin` on `Sat Dec 16 09:11:36 GMT 2023`
Record UNII	17LR410D8A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TALISOMYCIN B

Common Name

English

TALLYSOMYCIN B [MI]

Common Name

English

BLEOMYCINAMIDE, N1-(3-((4-AMINOBUTYL)AMINO)PROPYL)-13-((4-AMINO-4,6-DIDEOXY-.ALPHA.-L-TALOPYRANOSYL)OXY)-19-DEMETHYL-12-HYDROXY-

Common Name

English

N1-(3-((4-AMINOBUTYL)AMINO)PROPYL)-13-((4-AMINO-4,6-DIDEOXY-.ALPHA. -L-TALOPYRANOSYL)OXY)-19-DEMETHYL-12-HYDROXYBLEOMYCINAMIDE

Common Name

English

BU-2231B

Code

English

TALLYSOMYCIN B

Common Name

English

Code System Code Type Description

MERCK INDEX

m10445

Created by admin on Sat Dec 16 09:11:36 GMT 2023 , Edited by admin on Sat Dec 16 09:11:36 GMT 2023

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Merck Index

FDA UNII

17LR410D8A

Created by admin on Sat Dec 16 09:11:36 GMT 2023 , Edited by admin on Sat Dec 16 09:11:36 GMT 2023

PRIMARY

PUBCHEM

102059865

Created by admin on Sat Dec 16 09:11:36 GMT 2023 , Edited by admin on Sat Dec 16 09:11:36 GMT 2023

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CAS

65057-91-2

Created by admin on Sat Dec 16 09:11:36 GMT 2023 , Edited by admin on Sat Dec 16 09:11:36 GMT 2023

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