tert-butyl N-[3-[4-[5-[(4-methoxyphenyl)methyl]-1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl]phenyl]-1-oxo-1-(pentylamino)propan-2-yl]carbamate

HCID 69939482
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Basic information

Standard SMILES
CCCCCNC(=O)C(Cc1ccc(N2CC(=O)N(Cc3ccc(OC)cc3)S2(=O)=O)cc1)NC(=O)OC(C)(C)C
InChIKey
XCXFMLBUCXVPBR-UHFFFAOYSA-N
Molecular formula
C29H40N4O7S
Average molar mass
588.7 g/mol

Names & identifiers

Preferred name
tert-butyl N-[3-[4-[5-[(4-methoxyphenyl)methyl]-1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl]phenyl]-1-oxo-1-(pentylamino)propan-2-yl]carbamate
IUPAC
tert-butyl N-[3-[4-[5-[(4-methoxyphenyl)methyl]-1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl]phenyl]-1-oxo-1-(pentylamino)propan-2-yl]carbamate

Names & synonyms

SCHEMBL6925818

Database identifiers

PubChem CID
69939482

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
143 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
14
Heavy atoms
41

Related reactions

1 records
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Compound notes

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