U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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 of CAPREOMYCIN IA

SMILES

[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=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

Approval Year

Name Type Language
CAPREOMYCIN IA
MI   WHO-IP  
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
(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
Common Name English
CAPREOMYCIN IA [WHO-IP]
Common Name English
Code System Code Type Description
MERCK INDEX
m3029
Created by admin on Fri Dec 15 16:19:28 GMT 2023 , Edited by admin on Fri Dec 15 16:19:28 GMT 2023
PRIMARY Merck Index
FDA UNII
4AUQ151IUH
Created by admin on Fri Dec 15 16:19:28 GMT 2023 , Edited by admin on Fri Dec 15 16:19:28 GMT 2023
PRIMARY
CAS
37280-35-6
Created by admin on Fri Dec 15 16:19:28 GMT 2023 , Edited by admin on Fri Dec 15 16:19:28 GMT 2023
PRIMARY
EPA CompTox
DTXSID90891323
Created by admin on Fri Dec 15 16:19:28 GMT 2023 , Edited by admin on Fri Dec 15 16:19:28 GMT 2023
PRIMARY
PUBCHEM
3032940
Created by admin on Fri Dec 15 16:19:28 GMT 2023 , Edited by admin on Fri Dec 15 16:19:28 GMT 2023
PRIMARY