(S)-2-Methoxycarbonylamino-3-methylbutyric Acid (R)-3-[N-(5'-chloro-2'-fluorobiphenyl-4-ylmethyl)-N'-(3-methoxyisoxazole-5-carbonyl)hydrazino]-2-hydroxypropionyloxymethyl Ester

HCID 86705102
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Basic information

Standard SMILES
COC(=O)N[C@H](C(=O)OCOC(=O)[C@H](O)CN(Cc1ccc(-c2cc(Cl)ccc2F)cc1)NC(=O)c1cc(OC)no1)C(C)C
InChIKey
HSTVCUGJBXCUII-RDGATRHJSA-N
Molecular formula
C29H32ClFN4O10
Average molar mass
651 g/mol

Names & identifiers

Preferred name
(S)-2-Methoxycarbonylamino-3-methylbutyric Acid (R)-3-[N-(5'-chloro-2'-fluorobiphenyl-4-ylmethyl)-N'-(3-methoxyisoxazole-5-carbonyl)hydrazino]-2-hydroxypropionyloxymethyl Ester
IUPAC
[(2R)-3-[[4-(5-chloro-2-fluorophenyl)phenyl]methyl-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]amino]-2-hydroxypropanoyl]oxymethyl (2S)-2-(methoxycarbonylamino)-3-methylbutanoate

Names & synonyms

SCHEMBL16199165HSTVCUGJBXCUII-RDGATRHJSA-N(S)-2-Methoxycarbonylamino-3-methylbutyric Acid (R)-3-[N-(5'-chloro-2'-fluorobiphenyl-4-ylmethyl)-N'-(3-methoxyisoxazole-5-carbonyl)hydrazino]-2-hydroxypropionyloxymethyl Ester

Database identifiers

PubChem CID
86705102

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
179 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
13
Rotatable bonds
17
Heavy atoms
45

Related reactions

1 records
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Compound notes

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