[[3-methyl-2-(phenylmethylsulfanyl)butyl]-(phenethylcarbamoyl)amino] propanoate

Systemtic Name: [[3-methyl-2-(phenylmethylsulfanyl)butyl]-(phenethylcarbamoyl)amino] propanoate Openeye Name: [(2-benzylsulfanyl-3-methyl-butyl)-(phenethylcarbamoyl)amino] propanoate CAS Name: propanoic acid [[3-methyl-2-(phenylmethylthio)butyl]-[oxo-(phenethylamino)methyl]amino] ester IUPAC Name: [(2-benzylsulfanyl-3-methylbutyl)-(phenethylcarbamoyl)amino] propanoate Traditional Name: propionic acid [[2-(benzylthio)-3-methyl-butyl]-(phenethylcarbamoyl)amino] ester Formula: C24H32N2O3S MolecularWeight: 428.58748

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)ON(CC(C(C)C)SCC1=CC=CC=C1)C(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CCC(=O)ON(CC(C(C)C)SCC1=CC=CC=C1)C(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C24H32N2O3S/c1-4-23(27)29-26(24(28)25-16-15-20-11-7-5-8-12-20)17-22(19(2)3)30-18-21-13-9-6-10-14-21/h5-14,19,22H,4,15-18H2,1-3H3,(H,25,28)