3-methyl-2-[(phenethylcarbamoylamino)-phenyl-methyl]-2,4-bis(sulfanyl)butanoic acid

Systemtic Name: 3-methyl-2-[(phenethylcarbamoylamino)-phenyl-methyl]-2,4-bis(sulfanyl)butanoic acid Openeye Name: 3-methyl-2-[(phenethylcarbamoylamino)-phenyl-methyl]-2,4-bis(sulfanyl)butanoic acid CAS Name: 2,4-dimercapto-3-methyl-2-[[[oxo-(phenethylamino)methyl]amino]-phenylmethyl]butanoic acid IUPAC Name: 3-methyl-2-[(phenethylcarbamoylamino)-phenylmethyl]-2,4-bis(sulfanyl)butanoic acid Traditional Name: 2,4-dimercapto-3-methyl-2-[(phenethylcarbamoylamino)-phenyl-methyl]butyric acid Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(C(C1=CC=CC=C1)NC(=O)NCCC2=CC=CC=C2)(C(=O)O)S

Isomeric SMILES

CC(CS)C(C(C1=CC=CC=C1)NC(=O)NCCC2=CC=CC=C2)(C(=O)O)S

InChI

InChI=1S/C21H26N2O3S2/c1-15(14-27)21(28,19(24)25)18(17-10-6-3-7-11-17)23-20(26)22-13-12-16-8-4-2-5-9-16/h2-11,15,18,27-28H,12-14H2,1H3,(H,24,25)(H2,22,23,26)