4-ethanoylsulfanyl-2-[[(phenylmethyl)carbamoylamino]methyl]butanoic acid

Systemtic Name: 4-ethanoylsulfanyl-2-[[(phenylmethyl)carbamoylamino]methyl]butanoic acid Openeye Name: 4-acetylsulfanyl-2-[(benzylcarbamoylamino)methyl]butanoic acid CAS Name: 4-(acetylthio)-2-[[[oxo-[(phenylmethyl)amino]methyl]amino]methyl]butanoic acid IUPAC Name: 4-acetylsulfanyl-2-[(benzylcarbamoylamino)methyl]butanoic acid Traditional Name: 4-(acetylthio)-2-[(benzylcarbamoylamino)methyl]butyric acid Formula: C15H20N2O4S MolecularWeight: 324.3953

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(CNC(=O)NCC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(=O)SCCC(CNC(=O)NCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C15H20N2O4S/c1-11(18)22-8-7-13(14(19)20)10-17-15(21)16-9-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H,19,20)(H2,16,17,21)