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Reference substances

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General information

Inventory

EC number:
200-709-7
EC name:
Ampicillin
CAS number:
69-53-4

No inventory information available

Reference substance information

IUPAC name:
(2S,5R,6R)-6-[(2R)-2-amino-2-phenylacetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Synonyms
Names:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(aminophenylacetyl)amino]-3,3-dimethyl-7-oxo, [2S-[2?,5?,6ß(S)]]-
Identifier:
CAS number
69-53-4
Identifier:
IUPAC name
6-{[amino(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
(2S,5R,6R)-6-{[(2R)-2-Amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

CAS information

CAS number:
69-53-4

Related substances

Identifiers of related substances
Identifier:
CAS number
Identity:
7177-48-2

Molecular and structural information

Molecular formula:
C16H19N3O4S
Molecular weight:
349.405
SMILES notation:
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O
InChl:
InChI=1/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)
Structural formula:
Chemical structure