5-ethanoylsulfanyl-4-methyl-2-(phenethylcarbamoylamino)-2-(phenylmethyl)pentanoic acid

Systemtic Name: 5-ethanoylsulfanyl-4-methyl-2-(phenethylcarbamoylamino)-2-(phenylmethyl)pentanoic acid Openeye Name: 5-acetylsulfanyl-2-benzyl-4-methyl-2-(phenethylcarbamoylamino)pentanoic acid CAS Name: 5-(acetylthio)-4-methyl-2-[[oxo-(phenethylamino)methyl]amino]-2-(phenylmethyl)pentanoic acid IUPAC Name: 5-acetylsulfanyl-2-benzyl-4-methyl-2-(phenethylcarbamoylamino)pentanoic acid Traditional Name: 5-(acetylthio)-2-benzyl-4-methyl-2-(phenethylcarbamoylamino)valeric acid Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(CC1=CC=CC=C1)(C(=O)O)NC(=O)NCCC2=CC=CC=C2)CSC(=O)C

Isomeric SMILES

CC(CC(CC1=CC=CC=C1)(C(=O)O)NC(=O)NCCC2=CC=CC=C2)CSC(=O)C

InChI

InChI=1S/C24H30N2O4S/c1-18(17-31-19(2)27)15-24(22(28)29,16-21-11-7-4-8-12-21)26-23(30)25-14-13-20-9-5-3-6-10-20/h3-12,18H,13-17H2,1-2H3,(H,28,29)(H2,25,26,30)