(S)-1-[(S)-2-((S)-2-tert-Butoxycarbonylamino-3-methyl-butyrylamino)-3-difluoromethoxy-propionyl]-hexahydro-pyridazine-3-carboxylic acid 2,2,2-trichloro-ethyl ester

HCID 86709697
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Basic information

Standard SMILES
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](COC(F)F)C(=O)N1CCC[C@@H](C(=O)OCC(Cl)(Cl)Cl)N1
InChIKey
PZIUUSWMYVLKRN-IHRRRGAJSA-N
Molecular formula
C21H33Cl3F2N4O7
Average molar mass
597.9 g/mol
Monoisotopic mass
596.138289

Names & identifiers

Preferred name
(S)-1-[(S)-2-((S)-2-tert-Butoxycarbonylamino-3-methyl-butyrylamino)-3-difluoromethoxy-propionyl]-hexahydro-pyridazine-3-carboxylic acid 2,2,2-trichloro-ethyl ester
IUPAC
2,2,2-trichloroethyl (3S)-1-[(2S)-3-(difluoromethoxy)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoyl]diazinane-3-carboxylate

Names & synonyms

(S)-1-[(S)-2-((S)-2-tert-Butoxycarbonylamino-3-methyl-butyrylamino)-3-difluoromethoxy-propionyl]-hexahydro-pyridazine-3-carboxylic acid 2,2,2-trichloro-ethyl esterSCHEMBL15442646

Database identifiers

PubChem CID
86709697

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
135 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
10
Rotatable bonds
13
Heavy atoms
37

Related reactions

1 records
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Compound notes

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