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Substance Name: Chitinovorin B
RN: 95722-76-2
InChIKey: GYGJEMVAHZKULL-UHFFFAOYSA-N

Note

  • Beta-lactam antibiotic isolated from Flavobacterium chitinovorum sp. noc.

Molecular Formula

  • C29-H46-N10-O12-S

Molecular Weight

  • 758.806
 
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Names and Synonyms

Name of Substance

  • Chitinovorin B

Synonym

  • Chitinovorin-B

Systematic Name

  • L-Alaninamide, L-alanyl-N-(4-((7-((5-amino-5-carboxy-1-oxopentyl)amino)-2-carboxy-7-(formylamino)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methoxy)-1-(3-((aminoiminomethyl)amino)propyl)-2-hydroxy-4-oxobutyl)-, (6R-(3(1S*,2R*),6alpha,7beta(R*)))-

Registry Numbers

CAS Registry Number

  • 95722-76-2

System Generated Number

  • 0095722762

Structure Descriptors

InChI

1S/C29H46N10O12S/c1-13(30)22(44)36-14(2)23(45)37-17(6-4-8-34-28(32)33)18(41)9-20(43)51-10-15-11-52-27-29(35-12-40,26(50)39(27)21(15)25(48)49)38-19(42)7-3-5-16(31)24(46)47/h12-14,16-18,27,41H,3-11,30-31H2,1-2H3,(H,35,40)(H,36,44)(H,37,45)(H,38,42)(H,46,47)(H,48,49)(H4,32,33,34)

InChIKey

GYGJEMVAHZKULL-UHFFFAOYSA-N

Smiles

C=1(N2C([C@@]([C@@H]2SCC1COC(C[C@@H]([C@@H](CCCNC(=N)N)NC(=O)[C@@H](C)NC(=O)[C@@H](N)C)O)=O)(NC=O)NC(CCC[C@@H](C(O)=O)N)=O)=O)C(=O)O