CAPREOMYCIN IIB

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 Search

SMILES

C[C@@H]1NC(=O)[C@@H](N)CNC(=O)[C@@H](NC(=O)\C(NC(=O)[C@H](CN)NC1=O)=C\NC(N)=O)[C@H]2CCN=C(N)N2

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

Molecular Formula	C19H32N12O6
Molecular Weight	524.5342
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 18:07:46 GMT 2025` Edited by `admin` on `Mon Mar 31 18:07:46 GMT 2025`
Record UNII	K630580G1N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-6-CAPREOMYCIN IB

Preferred Name

English

CAPREOMYCIN IIB

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

Classification Tree Code System Code

NCI_THESAURUS

C2363