BLEOMYCIN A-5196

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C64H99ClN20O21S2
Molecular Weight	1584.175
Optical Activity	UNSPECIFIED
Defined Stereocenters	19 / 19
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H](O)[C@H](NC(=O)[C@@H](C)[C@H](O)[C@@H](C)NC(=O)[C@@H](NC(=O)C1=NC(=NC(N)=C1C)[C@H](CC(N)=O)NC[C@H](N)C(N)=O)[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]3O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]3O)C4=CN=CN4)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCCNCCCNC(=N)CC7CCC(Cl)CC7

InChI

InChIKey=IPUPASGXCCCXGQ-PBRMLXTFSA-N

InChI=1S/C64H99ClN20O21S2/c1-26-42(82-55(85-53(26)69)33(18-40(68)89)77-19-32(66)54(70)95)59(99)84-44(50(34-20-73-25-78-34)104-63-52(48(93)46(91)37(21-86)103-63)105-62-49(94)51(106-64(71)101)47(92)38(22-87)102-62)60(100)79-28(3)45(90)27(2)56(96)83-43(29(4)88)58(98)76-16-11-41-80-36(24-107-41)61-81-35(23-108-61)57(97)75-15-6-13-72-12-5-14-74-39(67)17-30-7-9-31(65)10-8-30/h20,23-25,27-33,37-38,43-52,62-63,72,77,86-88,90-94H,5-19,21-22,66H2,1-4H3,(H2,67,74)(H2,68,89)(H2,70,95)(H2,71,101)(H,73,78)(H,75,97)(H,76,98)(H,79,100)(H,83,96)(H,84,99)(H2,69,82,85)/t27-,28+,29+,30?,31?,32-,33-,37-,38+,43-,44-,45-,46+,47+,48-,49-,50-,51-,52-,62+,63-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C64H99ClN20O21S2
Molecular Weight	1584.175
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	19 / 19
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:07:46 GMT 2025` Edited by `admin` on `Mon Mar 31 22:07:46 GMT 2025`
Record UNII	U7YRW695KQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BLEOMYCIN A-5196

Common Name

English

A-5196

Preferred Name

English

BLEOMYCIN A5196

Common Name

English

BLEOMYCINAMIDE, N1-(3-((3-((2-(4-CHLOROCYCLOHEXYL)-1-IMINOETHYL)AMINO)PROPYL)AMINO)PROPYL)-

Systematic Name

English

ANTIBIOTIC A-5196

Code

English

Code System Code Type Description

EPA CompTox

DTXSID001031903

Created by admin on Mon Mar 31 22:07:46 GMT 2025 , Edited by admin on Mon Mar 31 22:07:46 GMT 2025

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FDA UNII

U7YRW695KQ

Created by admin on Mon Mar 31 22:07:46 GMT 2025 , Edited by admin on Mon Mar 31 22:07:46 GMT 2025

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PUBCHEM

102003556

Created by admin on Mon Mar 31 22:07:46 GMT 2025 , Edited by admin on Mon Mar 31 22:07:46 GMT 2025

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CAS

58071-32-2

Created by admin on Mon Mar 31 22:07:46 GMT 2025 , Edited by admin on Mon Mar 31 22:07:46 GMT 2025

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