3-(7-Oxo-1-aza-4-oxabicyclo(3.2.0)hept-3-yl)alanine

(2S)-2-amino-3-[(3S,5S)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]propanoic acid

Also Known As: Alanylclavam|Clavalanine|2-Alanylclavam|Antibiotic Ro-22-5417|Ro-22-5417|Ro 22-5417|3-(7-Oxo-1-aza-4-oxabicyclo(3.2.0)hept-3-yl)alanine|3-(7-oxo-1-aza-4-oxabicyclo alanine|(2S)-2-amino-3-[(3S,5S)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]propanoic acid|4-Oxa-1-azabicyclo[3.2.0]heptane-3-propanoicacid, a-amino-7-oxo-, (aS,3S,5S)-|3-[(1S,3S)-6-Oxo-2-oxa-5-azabicyclo[3.2.0]heptane-3-yl]-L-alanine|3-[(3S,5S)-7-Oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]-L-alanine|4-Oxa-1-azabicyclo(3.2.0)heptane-3-propanoic acid, alpha-amino-7-oxo-, (3S-(3alpha(R*),5alpha))-|(2S)-2-amino-3-((3S,5S)-7-oxo-4-oxa-1-azabicyclo(3.2.0)heptan-3-yl)propanoic acid|(3S,5alpha,alphaS)-alpha-Amino-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-3alpha-propanoic acid|[3S,5alpha,alphaS,(-)]-alpha-Amino-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-3alpha-propanoic acid

Molecular Formula	C8H12N2O4
Molecular Weight	200.07971 g/mol
LogP	-3.9
Topological Polar Surface Area	92.9 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	3
Exact Mass	200.07971
Monoisotopic Mass	200.07971
Heavy Atoms	14
Complexity	281.0

Chemical Identifiers

CAS Number	74758-63-7
SMILES	C1[C@H]2N(C1=O)C[C@@H](O2)C[C@@H](C(=O)O)N
InChIKey	KCAIYJDHLVYANU-VPLCAKHXSA-N