Molecules/(2S,5R,6R)-6-[[(2S)-2-[[(2S)-2-amino-4-(methylamino)-4-oxobutanoyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;trihydrate

(2S,5R,6R)-6-[[(2S)-2-[[(2S)-2-amino-4-(methylamino)-4-oxobutanoyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;trihydrate

C21H33N5O10S547.60 g/molCID 45358869

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Molecular Identity

(2S,5R,6R)-6-[[(2S)-2-[[(2S)-2-amino-4-(methylamino)-4-oxobutanoyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;trihydrate

PubChem CID: 45358869

2D Structure

Properties

C₂₁H₃₃N₅O₁₀S

Molecular Formula

547.60

Molecular Weight

g/mol

547.1948

Exact Mass

219

TPSA

May have limited oral absorption

H-Bond Donors

H-Bond Acceptors

860

Complexity

SMILES

Canonical SMILES

SMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)NC(=O)C(CC(=O)NC)N)C(=O)O)C.O.O.O

Isomeric SMILES

SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@H](C3=CC=C(C=C3)O)NC(=O)[C@H](CC(=O)NC)N)C(=O)O)C.O.O.O

Synonyms(2)

AC-084AKOS025401324

Data from PubChem (NCBI)

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Molecular Structure

(2S,5R,6R)-6-[[(2S)-2-[[(2S)-2-amino-4-(methylamino)-4-oxobutanoyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;trihydrate

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2D molecular structure of (2S,5R,6R)-6-[[(2S)-2-[[(2S)-2-amino-4-(methylamino)-4-oxobutanoyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;trihydrate

Source: PubChem

Drug Network

Trials and conditions connected to (2S,5R,6R)-6-[[(2S)-2-[[(2S)-2-amino-4-(methylamino)-4-oxobutanoyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;trihydrate

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