1-[3(S)-[[N-(tert.butoxycarbonyl)-L-cysteinyl]amino]-2(R)-hydroxy-4-phenylbutyl]-N-tert.butyl-2(S)-piperidinecarboxamide

HCID 86746292

Basic information

Standard SMILES
CC(C)(C)NC(=O)[C@@H]1CCCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)OC(C)(C)C
InChIKey
SPEBIMHLCIGLPH-CWBXHPNXSA-N
Molecular formula
C28H46N4O5S
Average molar mass
550.8 g/mol

Names & identifiers

Preferred name
1-[3(S)-[[N-(tert.butoxycarbonyl)-L-cysteinyl]amino]-2(R)-hydroxy-4-phenylbutyl]-N-tert.butyl-2(S)-piperidinecarboxamide
IUPAC
tert-butyl N-[(2R)-1-[[(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]carbamate

Names & synonyms

SCHEMBL7269359SPEBIMHLCIGLPH-CWBXHPNXSA-N1-[3(S)-[[N-(tert.butoxycarbonyl)-L-cysteinyl]amino]-2(R)-hydroxy-4-phenylbutyl]-N-tert.butyl-2(S)-piperidinecarboxamide

Database identifiers

PubChem CID
86746292

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
121 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
7
Rotatable bonds
13
Heavy atoms
38

Related reactions

10 records

Compound notes

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