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

(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol

CAS: 7177-45-9

Molecular Formula	`C26H33N3O5S`
Molecular Weight	499.6 g/mol
Topological Polar Surface Area	144.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	7
Rotatable Bonds	7
Exact Mass	499.21408
Heavy Atoms	35
Complexity	651.0

Chemical Identifiers

CAS Number	7177-45-9
SMILES	`CC(C(C1=CC=CC=C1)O)NC.CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C`
InChIKey	`ATTKGDVWJGVOJH-TWKDTOHUSA-N`

📖 Product Overview

(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol (CAS: 7177-45-9) is a chemical compound with molecular formula C26H33N3O5S and molecular weight 499.6 g/mol. Its IUPAC systematic name is (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol. Topological Polar Surface Area 144.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 7 Rotatable Bonds 7 Exact Mass 499.21408 Heavy Atoms 35 Complexity 651.0 InChI Key: ATTKGDVWJGVOJH-TWKDTOHUSA-N. SMILES: CC(C(C1=CC=CC=C1)O)NC.CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.

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Multi-source research profile: chemical properties, regulatory status, and sourcing guide for (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol.

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