N-Acetylcilastatin

CAS

94388-32-6

Catalog Number

ACM94388326

Category

Other Products

MSDS COA Spec Sheet

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What is the PubChem CID of N-Acetylcilastatin?

PubChem CID 6438579

What is the molecular formula of N-Acetylcilastatin?

The molecular formula is C18H28N2O6S.

What are the synonyms for N-Acetylcilastatin?

Some synonyms for N-Acetylcilastatin include 94388-32-6, (Z)-7-[(2S)-2-acetamido-2-carboxyethyl]sulfanyl-2-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoic acid.

What is the molecular weight of N-Acetylcilastatin?

The molecular weight is 400.5 g/mol.

What is the IUPAC name of N-Acetylcilastatin?

The IUPAC name is (Z)-7-[(2S)-2-acetamido-2-carboxyethyl]sulfanyl-2-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoic acid.

What is the InChI of N-Acetylcilastatin?

The InChI is InChI=1S/C18H28N2O6S/c1-11(21)19-14(17(25)26)10-27-8-6-4-5-7-13(16(23)24)20-15(22)12-9-18(12,2)3/h7,12,14H,4-6,8-10H2,1-3H3,(H,19,21)(H,20,22)(H,23,24)(H,25,26)/b13-7-/t12-,14-/m1/s1.

What is the InChIKey of N-Acetylcilastatin?

The InChIKey is SEQPPJZLZIXXRN-FZKSUDTASA-N.

What is the canonical SMILES of N-Acetylcilastatin?

The canonical SMILES is CC(=O)NC(CSCCCCC=C(C(=O)O)NC(=O)C1CC1(C)C)C(=O)O.

What is the XLogP3-AA value of N-Acetylcilastatin?

The XLogP3-AA value is 1.5.

What is the hydrogen bond donor count of N-Acetylcilastatin?

The hydrogen bond donor count is 4.

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