CAPREOMYCIN IB SULFATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H44N14O7.2H2O4S
Molecular Weight	848.863
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OS(O)(=O)=O.OS(O)(=O)=O.[H][C@@]1(CCN=C(N)N1)[C@]2([H])NC(=O)\C(NC(=O)[C@H](CNC(=O)C[C@@H](N)CCCN)NC(=O)[C@H](C)NC(=O)[C@@H](N)CNC2=O)=C\NC(N)=O

InChI

InChIKey=IIYGPRWXYYFITR-STHSOBLYSA-N

InChI=1S/C25H44N14O7.2H2O4S/c1-11-19(41)36-15(9-32-17(40)7-12(27)3-2-5-26)21(43)37-16(10-34-25(30)46)22(44)39-18(14-4-6-31-24(29)38-14)23(45)33-8-13(28)20(42)35-11;2*1-5(2,3)4/h10-15,18H,2-9,26-28H2,1H3,(H,32,40)(H,33,45)(H,35,42)(H,36,41)(H,37,43)(H,39,44)(H3,29,31,38)(H3,30,34,46);2*(H2,1,2,3,4)/b16-10-;;/t11-,12-,13-,14+,15-,18-;;/m0../s1

HIDE SMILES / InChI

Molecular Formula	H2O4S
Molecular Weight	98.078
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C25H44N14O7
Molecular Weight	652.7065
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Protein biosynthesis 8 Target ID: Protein biosynthesis Sources: https://www.genome.jp/dbget-bin/www_bget?dr:D07607	Inhibitor 8297

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:41:08 GMT 2023` Edited by `admin` on `Fri Dec 15 15:41:08 GMT 2023`
Record UNII	7LHE7403KL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CAPREOMYCIN IB SULFATE

Common Name

English

(3S)-3,6-DIAMINO-N-(((2S,5S,8Z,11S,15S)-15-AMINO-11-((4R)-2-AMINO-1,4,5,6-TETRAHYDROPYRIMIDIN-4-YL)-8-((CARBAMOYLAMINO)METHYLENE)-2-METHYL-3,6,9,12,16-PENTAOXO-1,4,7,10,13-PENTAAZACYCLOHEXADECAN-5-YL)METHYL)HEXANAMIDE DISULFATE

Systematic Name

English

CYCLO((2S)-2-AMINO-.BETA.-ALANYL-L-ALANYL-3-(((3S)-3,6-DIAMINO-1-OXOHEXYL)AMINO)-L-ALANYL-(2Z)-3-((AMINOCARBONYL)AMINO)-2,3-DIDEHYDROALANYL-(2S)-2-((4R)-2-AMINO-1,4,5,6-TETRAHYDRO-4-PYRIMIDINYL)GLYCYL), SULFATE

Systematic Name

English

Code System Code Type Description

FDA UNII

7LHE7403KL

Created by admin on Fri Dec 15 15:41:08 GMT 2023 , Edited by admin on Fri Dec 15 15:41:08 GMT 2023

PRIMARY

PUBCHEM

73416463

Created by admin on Fri Dec 15 15:41:08 GMT 2023 , Edited by admin on Fri Dec 15 15:41:08 GMT 2023

PRIMARY

CAS

191719-41-2

Created by admin on Fri Dec 15 15:41:08 GMT 2023 , Edited by admin on Fri Dec 15 15:41:08 GMT 2023

PRIMARY

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CAPREOMYCIN IB

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