TALISOMYCIN

Details

Stereochemistry	UNKNOWN
Molecular Formula	C68H110N22O27S2
Molecular Weight	1731.862
Optical Activity	UNSPECIFIED
Defined Stereocenters	23 / 26
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)NCCCC(N)CC(=O)NCCCNCCCCN)C6=CNC=N6)O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]7O

InChI

InChIKey=VUPBDWQPEOWRQP-RIJHKAIISA-N

InChI=1S/C68H110N22O27S2/c1-25-42(87-57(89-55(25)74)31(16-38(72)95)81-18-30(71)56(75)105)59(107)88-44(52(32-19-78-24-82-32)114-67-54(48(101)45(98)36(20-91)113-67)115-66-50(103)53(116-68(76)110)46(99)37(21-92)112-66)61(109)83-26(2)35(94)17-40(97)86-43(27(3)93)60(108)90-62(117-65-49(102)47(100)41(73)28(4)111-65)51(104)64-85-34(23-119-64)63-84-33(22-118-63)58(106)80-13-7-9-29(70)15-39(96)79-14-8-12-77-11-6-5-10-69/h19,22-24,26-31,35-37,41,43-54,62,65-67,77,81,91-94,98-104H,5-18,20-21,69-71,73H2,1-4H3,(H2,72,95)(H2,75,105)(H2,76,110)(H,78,82)(H,79,96)(H,80,106)(H,83,109)(H,86,97)(H,88,107)(H,90,108)(H2,74,87,89)/t26-,27-,28+,29?,30+,31+,35+,36+,37-,41-,43+,44+,45-,46-,47-,48+,49-,50+,51?,52+,53+,54+,62?,65+,66-,67+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C68H110N22O27S2
Molecular Weight	1731.862
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	23 / 26
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:00:57 UTC 2023` Edited by `admin` on `Fri Dec 15 16:00:57 UTC 2023`
Record UNII	F6W58M21O7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TALISOMYCIN

Official Name

English

talisomycin [INN]

Common Name

English

NSC-279496

Code

English

TALLYSOMYCIN A

Common Name

English

BU-2231A

Code

English

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

Systematic Name

English

TALISOMYCIN [USAN]

Common Name

English

TALISOMYCIN A

Common Name

English

TALLYSOMYCIN A [MI]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C2311