2-[[2-[2-ethanoylsulfanylethyl(2-sulfanylethanoyl)amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-[2-ethanoylsulfanylethyl(2-sulfanylethanoyl)amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-[2-acetylsulfanylethyl-(2-sulfanylacetyl)amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[2-(acetylthio)ethyl-(2-mercapto-1-oxoethyl)amino]-4-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[2-acetylsulfanylethyl-(2-sulfanylacetyl)amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[2-(acetylthio)ethyl-(2-mercaptoacetyl)amino]-4-methyl-pentanoyl]amino]-3-phenyl-propionic acid Formula: C21H30N2O5S2 MolecularWeight: 454.6033

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)N(CCSC(=O)C)C(=O)CS

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)N(CCSC(=O)C)C(=O)CS

InChI

InChI=1S/C21H30N2O5S2/c1-14(2)11-18(23(19(25)13-29)9-10-30-15(3)24)20(26)22-17(21(27)28)12-16-7-5-4-6-8-16/h4-8,14,17-18,29H,9-13H2,1-3H3,(H,22,26)(H,27,28)