CAPREOMYCIN IA SULFATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H44N14O8.2H2O4S
Molecular Weight	864.863
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](CO)NC(=O)[C@@H](N)CNC2=O)=C\NC(N)=O

InChI

InChIKey=JLRSDHJLZBDMJX-YKWRZAMXSA-N

InChI=1S/C25H44N14O8.2H2O4S/c26-4-1-2-11(27)6-17(41)32-8-14-20(43)35-15(9-34-25(30)47)21(44)39-18(13-3-5-31-24(29)38-13)23(46)33-7-12(28)19(42)37-16(10-40)22(45)36-14;2*1-5(2,3)4/h9,11-14,16,18,40H,1-8,10,26-28H2,(H,32,41)(H,33,46)(H,35,43)(H,36,45)(H,37,42)(H,39,44)(H3,29,31,38)(H3,30,34,47);2*(H2,1,2,3,4)/b15-9-;;/t11-,12-,13+,14-,16-,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	C25H44N14O8
Molecular Weight	668.7059
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:41:07 GMT 2023` Edited by `admin` on `Fri Dec 15 15:41:07 GMT 2023`
Record UNII	2V198449RN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CAPREOMYCIN IA SULFATE

Common Name

English

CYCLO(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-(2S)-2-AMINO-.BETA.-ALANYL-L-SERYL), SULFATE (SALT)

Systematic Name

English

Code System Code Type Description

PUBCHEM

73416460

Created by admin on Fri Dec 15 15:41:07 GMT 2023 , Edited by admin on Fri Dec 15 15:41:07 GMT 2023

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FDA UNII

2V198449RN

Created by admin on Fri Dec 15 15:41:07 GMT 2023 , Edited by admin on Fri Dec 15 15:41:07 GMT 2023

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CAS

191719-40-1

Created by admin on Fri Dec 15 15:41:07 GMT 2023 , Edited by admin on Fri Dec 15 15:41:07 GMT 2023

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