CAPREOMYCIN IIA SULFATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H32N12O7.2H2O4S
Molecular Weight	736.691
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=PBPPNNBBVGMLBV-IBXVCRFESA-N

InChI=1S/C19H32N12O7.2H2O4S/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;2*1-5(2,3)4/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);2*(H2,1,2,3,4)/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

Molecular Formula	H2O4S
Molecular Weight	98.078
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:41:09 GMT 2023` Edited by `admin` on `Fri Dec 15 15:41:09 GMT 2023`
Record UNII	347SWK075Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CAPREOMYCIN IIA SULFATE

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 DISULFATE (SALT)

Systematic Name

English

Code System Code Type Description

FDA UNII

347SWK075Y

Created by admin on Fri Dec 15 15:41:10 GMT 2023 , Edited by admin on Fri Dec 15 15:41:10 GMT 2023

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PUBCHEM

135565139

Created by admin on Fri Dec 15 15:41:10 GMT 2023 , Edited by admin on Fri Dec 15 15:41:10 GMT 2023

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