CAPREOMYCIN IA

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H44N14O8
Molecular Weight	668.7059
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NCCC[C@H](N)CC(=O)NC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](N)CNC(=O)[C@@H](NC(=O)\C(NC1=O)=C\NC(N)=O)[C@H]2CCN=C(N)N2

InChI

InChIKey=JNIIDKODPGHQSS-MPSMQSNBSA-N

InChI=1S/C25H44N14O8/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/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)/b15-9-/t11-,12-,13+,14-,16-,18-/m0/s1

HIDE SMILES / InChI

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 `Mon Mar 31 18:25:05 GMT 2025` Edited by `admin` on `Mon Mar 31 18:25:05 GMT 2025`
Record UNII	4AUQ151IUH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(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-(HYDROXYMETHYL)-3,6,9,12,16-PENTAOXO-1,4,7,10,13-PENTAAZACYCLOHEXADECAN-5-YL)METHYL)HEXANAMIDE

Preferred Name

English

CAPREOMYCIN IA

Common Name

English

CAPREOMYCIN IA [MI]

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)

Common Name

English

CAPREOMYCIN IA [WHO-IP]

Common Name

English

Code System Code Type Description

MERCK INDEX

m3029