Rit 2214

(2S,5R,6R)-6-[[2-[(2S)-2-amino-2-carboxyethyl]sulfanylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Also Known As: Antibiotic rit-D 2214|Rit 2214|Antibiotic RIT-2214|RIT-D 2214|Antibiotic RIT-D-2214|RIT-2214|RIT-D-2214|(2S,5R,6R)-6-[[2-[(2S)-2-amino-2-carboxyethyl]sulfanylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|6-(D)-(((2-amino-2-carboxy)ethylthio)acetamido)penicillanic acid|(2S,5R,6R)-6-(2-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((((2-amino-2-carboxyethyl)thio)acetyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2-alpha,5-alpha,6-beta(R *)))-|(6R)-6alpha-[[[(S)-2-Amino-2-carboxyethylthio]acetyl]amino]penicillanic acid|(2S,5beta)-6alpha-[[[(S)-2-Amino-2-carboxyethylthio]acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2beta-carboxylic acid|(2S,5R,6R)-6-((2-((2S)-2-amino-2-carboxyethyl)sulfanylacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid|(2S,5R,6R)-6-[[2-[(2S)-2-amino-3-hydroxy-3-oxopropyl]sulfanylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((((2-amino-2-carboxyethyl)thio)acetyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2 alpha,5 alpha,6 beta(R*)))-

Molecular Formula	C13H19N3O6S2
Molecular Weight	377.07153 g/mol
LogP	-2.5
Topological Polar Surface Area	201.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	9
Rotatable Bonds	7
Exact Mass	377.07153
Monoisotopic Mass	377.07153
Heavy Atoms	24
Complexity	584.0

Chemical Identifiers

CAS Number	56448-19-2
SMILES	CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CSC[C@H](C(=O)O)N)C(=O)O)C
InChIKey	QDOGMOKSFVXEIZ-PJGXCUNHSA-N