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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H32N12O6
Molecular Weight 524.5342
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CAPREOMYCIN IIB

SMILES

[H][C@@]1(CCN=C(N)N1)[C@]2([H])NC(=O)\C(NC(=O)[C@H](CN)NC(=O)[C@H](C)NC(=O)[C@@H](N)CNC2=O)=C\NC(N)=O

InChI

InChIKey=MHBQQDNEPQYCOS-CBQPQWBASA-N
InChI=1S/C19H32N12O6/c1-7-13(32)28-10(4-20)15(34)29-11(6-26-19(23)37)16(35)31-12(9-2-3-24-18(22)30-9)17(36)25-5-8(21)14(33)27-7/h6-10,12H,2-5,20-21H2,1H3,(H,25,36)(H,27,33)(H,28,32)(H,29,34)(H,31,35)(H3,22,24,30)(H3,23,26,37)/b11-6-/t7-,8-,9+,10-,12-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
CAPREOMYCIN IIB
WHO-IP  
Common Name English
CYCLO((2S)-2-AMINO-.BETA.-ALANYL-L-ALANYL-3-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
1-((Z)-((3S,9S,12S,15S)-15-AMINO-9-(AMINOMETHYL)-3-((4R)-2-AMINO-1,4,5,6-TETRAHYDROPYRIMIDIN-4-YL)-12-METHYL-2,5,8,11,14-PENTAOXO-1,4,7,10,13-PENTAAZACYCLOHEXADECAN-6-YLIDENE)METHYL)UREA
Systematic Name English
CAPREOMYCIN IIB [WHO-IP]
Common Name English
2-6-CAPREOMYCIN IB
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C2363
Created by admin on Fri Dec 15 15:45:47 GMT 2023 , Edited by admin on Fri Dec 15 15:45:47 GMT 2023
Code System Code Type Description
FDA UNII
K630580G1N
Created by admin on Fri Dec 15 15:45:47 GMT 2023 , Edited by admin on Fri Dec 15 15:45:47 GMT 2023
PRIMARY
CAS
62639-90-1
Created by admin on Fri Dec 15 15:45:47 GMT 2023 , Edited by admin on Fri Dec 15 15:45:47 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
NCI_THESAURUS
C76239
Created by admin on Fri Dec 15 15:45:47 GMT 2023 , Edited by admin on Fri Dec 15 15:45:47 GMT 2023
PRIMARY
EPA CompTox
DTXSID70891321
Created by admin on Fri Dec 15 15:45:47 GMT 2023 , Edited by admin on Fri Dec 15 15:45:47 GMT 2023
PRIMARY
PUBCHEM
3034237
Created by admin on Fri Dec 15 15:45:47 GMT 2023 , Edited by admin on Fri Dec 15 15:45:47 GMT 2023
PRIMARY
CAS
754135-24-5
Created by admin on Fri Dec 15 15:45:47 GMT 2023 , Edited by admin on Fri Dec 15 15:45:47 GMT 2023
PRIMARY