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

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H44N14O7
Molecular Weight 652.7065
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CAPREOMYCIN IB

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](C)NC(=O)[C@@H](N)CNC2=O)=C\NC(N)=O

InChI

InChIKey=FRXNXDHFQYZYNA-GOTGUIIGSA-N
InChI=1S/C25H44N14O7/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/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)/b16-10-/t11-,12-,13-,14+,15-,18-/m0/s1

HIDE SMILES / InChI

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Name Type Language
CAPREOMYCIN IB
MI   WHO-IP  
Common 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-3,4,5,6-TETRAHYDRO-4-PYRIMIDINYL)GLYCYL)
Systematic 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
Common Name English
CAPREOMYCIN IB [WHO-IP]
Common Name English
CAPREOMYCIN IB [MI]
Common Name English
Code System Code Type Description
MERCK INDEX
m3029
Created by admin on Fri Dec 15 15:43:21 GMT 2023 , Edited by admin on Fri Dec 15 15:43:21 GMT 2023
PRIMARY Merck Index
EPA CompTox
DTXSID4046652
Created by admin on Fri Dec 15 15:43:21 GMT 2023 , Edited by admin on Fri Dec 15 15:43:21 GMT 2023
PRIMARY
CAS
33490-33-4
Created by admin on Fri Dec 15 15:43:21 GMT 2023 , Edited by admin on Fri Dec 15 15:43:21 GMT 2023
PRIMARY
FDA UNII
2YP3RYC823
Created by admin on Fri Dec 15 15:43:21 GMT 2023 , Edited by admin on Fri Dec 15 15:43:21 GMT 2023
PRIMARY
PUBCHEM
3034057
Created by admin on Fri Dec 15 15:43:21 GMT 2023 , Edited by admin on Fri Dec 15 15:43:21 GMT 2023
PRIMARY