2-acetamido-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]-3-phenylpropanamide

HCID 178446547

Basic information

Standard SMILES: CCCCCNC(=O)C(Cc1ccc(N2CC(=O)N(Cc3ccc(OC)cc3)S2(=O)=O)cc1)NC(=O)C(Cc1ccccc1)NC(C)=O
InChIKey: OIAGLOOEAPVSSQ-UHFFFAOYSA-N
Molecular formula: C35H43N5O7S
Average molar mass: 677.8 g/mol
Monoisotopic mass: 677.2883199

IUPAC: 2-acetamido-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]-3-phenylpropanamide

2 records

HRID 136031As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 816087As reactantTest data from https://doi.org/10.1039/C8SC04228D

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Standard SMILES: CCCCCNC(=O)C(Cc1ccc(N2CC(=O)N(Cc3ccc(OC)cc3)S2(=O)=O)cc1)NC(=O)C(Cc1ccccc1)NC(C)=O
InChIKey: OIAGLOOEAPVSSQ-UHFFFAOYSA-N
Molecular formula: C35H43N5O7S
Average molar mass: 677.8 g/mol
Monoisotopic mass: 677.2883199

IUPAC: 2-acetamido-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]-3-phenylpropanamide

2 records

HRID 136031As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 816087As reactantTest data from https://doi.org/10.1039/C8SC04228D

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