CAPREOMYCIN IIA

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H32N12O7
Molecular Weight	540.5336
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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=XFGCTBYTRMLWCB-MRSVHRRQSA-N

InChI=1S/C19H32N12O7/c20-3-9-14(34)28-10(5-26-19(23)38)15(35)31-12(8-1-2-24-18(22)30-8)17(37)25-4-7(21)13(33)29-11(6-32)16(36)27-9/h5,7-9,11-12,32H,1-4,6,20-21H2,(H,25,37)(H,27,36)(H,28,34)(H,29,33)(H,31,35)(H3,22,24,30)(H3,23,26,38)/b10-5-/t7-,8+,9-,11-,12-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C19H32N12O7
Molecular Weight	540.5336
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:21:50 GMT 2025` Edited by `admin` on `Mon Mar 31 18:21:50 GMT 2025`
Record UNII	38TL5Q9SM7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-6-CAPREOMYCIN IA

Preferred Name

English

CAPREOMYCIN IIA

Common Name

English

1-((Z)-((3S,9S,12S,15S)-15-AMINO-9-(AMINOMETHYL)-3-((4R)-2-AMINO-1,4,5,6-TETRAHYDROPYRIMIDIN-4-YL)-12-(HYDROXYMETHYL)-2,5,8,11,14-PENTAOXO-1,4,7,10,13-PENTAAZACYCLOHEXADECAN-6-YLIDENE)METHYL)UREA

Systematic Name

English

CAPREOMYCIN IIA [WHO-IP]

Common Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

3034236

Created by admin on Mon Mar 31 18:21:50 GMT 2025 , Edited by admin on Mon Mar 31 18:21:50 GMT 2025

PRIMARY

EPA CompTox

DTXSID30891322

Created by admin on Mon Mar 31 18:21:50 GMT 2025 , Edited by admin on Mon Mar 31 18:21:50 GMT 2025

PRIMARY

FDA UNII

38TL5Q9SM7

Created by admin on Mon Mar 31 18:21:50 GMT 2025 , Edited by admin on Mon Mar 31 18:21:50 GMT 2025

PRIMARY

CAS

62639-89-8

Created by admin on Mon Mar 31 18:21:50 GMT 2025 , Edited by admin on Mon Mar 31 18:21:50 GMT 2025

PRIMARY

Related Record Type Details


					38TL5Q9SM7

CAPREOMYCIN IIA

ACTIVE MOIETY