benzyl N-[4-amino-1-[[4-[(1-tert-butylpyrrolidine-2-carbonyl)amino]-3-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate

HCID 178450147
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Basic information

Standard SMILES
CC(C)(C)Oc1ccc(CC(NC(=O)C(CC(N)=O)NC(=O)OCc2ccccc2)C(O)CNC(=O)C2CCCN2C(C)(C)C)cc1
InChIKey
KLDDSYINMNPUIX-UHFFFAOYSA-N
Molecular formula
C35H51N5O7
Average molar mass
653.8 g/mol
Monoisotopic mass
653.37884898

Names & identifiers

IUPAC
benzyl N-[4-amino-1-[[4-[(1-tert-butylpyrrolidine-2-carbonyl)amino]-3-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate

Database identifiers

PubChem CID
77764056

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
172 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
8
Rotatable bonds
17
Heavy atoms
47

Related reactions

1 records
New reaction record

Compound notes

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