4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-[[[[[[[3-(methylsulfonyl)-2-oxo-1-imidazolidinyl]carbonyl]amino]carbonyl]amino]phenylacetyl]amino]-7-oxo-, monosodium salt, [2S-[2α,5α,6β(S*)]]-

C22H25N6NaO9S2CAS 59798-30-0604.58 g/mol

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SNHOHNOHNONNSOOOONO−ONa+
AmideCarboxylic acidLactamSulfideSulfonamideUrea

Properties

Molecular formula
C22H25N6NaO9S2
Molar mass
604.58 g/mol
Exact mass
604.1022 Da
logP
0.34Crippen estimate
Polar surface area
213.1 Ų
H-bond donors / acceptors
4 / 8
Rotatable bonds
6
Stereocentres
R, R, R, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
59798-30-0
SMILES
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C([O-])=O.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Work with 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-[[[[[[[3-(methylsulfonyl)-2-oxo-1-imidazolidinyl]carbonyl]amino]carbonyl]amino]phenylacetyl]amino]-7-oxo-, monosodium salt, [2S-[2α,5α,6β(S*)]]-

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Tanimoto similarity of circular fingerprints over the whole catalogue.

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