N-[(1-methyl-3-isobutyl-indole-2-cabonyl)cyclohexylalaninyl]-3-amino-5-bromo-4-oxo-pentanoic acid, tert-butyl ester

HCID 86756366
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Basic information

Standard SMILES
CC(C)Cc1c(C(=O)N(C2CCCCC2)[C@@H](C)C(=O)NC(CC(=O)OC(C)(C)C)C(=O)CBr)n(C)c2ccccc12
InChIKey
WXTYRTUNUITWIS-BWDMCYIDSA-N
Molecular formula
C32H46BrN3O5
Average molar mass
632.6 g/mol

Names & identifiers

Preferred name
N-[(1-methyl-3-isobutyl-indole-2-cabonyl)cyclohexylalaninyl]-3-amino-5-bromo-4-oxo-pentanoic acid, tert-butyl ester
IUPAC
tert-butyl 5-bromo-3-[[(2S)-2-[cyclohexyl-[1-methyl-3-(2-methylpropyl)indole-2-carbonyl]amino]propanoyl]amino]-4-oxopentanoate

Names & synonyms

SCHEMBL7678676WXTYRTUNUITWIS-BWDMCYIDSA-NN-[(1-methyl-3-isobutyl-indole-2-cabonyl)cyclohexylalaninyl]-3-amino-5-bromo-4-oxo-pentanoic acid, tert-butyl esterN-[(1-methyl-3-isobutyl-indole-2-carbonyl)cyclohexylalaninyl]-3-amino-5-bromo-4-oxo-pentanoic acid, tert-butyl ester

Database identifiers

PubChem CID
86756366

Properties

Computed structural properties

XLogP
6.3
Topological polar surface area
97.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
13
Heavy atoms
41

Related reactions

1 records
New reaction record

Compound notes

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N-[(1-methyl-3-isobutyl-indole-2-cabonyl)cyclohexylalaninyl]-3-amino-5-bromo-4-oxo-pentanoic acid, tert-butyl ester (HCID 86756366)｜Huagongshe