2-[[2-methyl-2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 2-[[2-methyl-2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 2-[(2-benzyl-2-methyl-3-sulfanyl-propanoyl)amino]-3-benzylsulfanyl-propanoic acid CAS Name: 2-[[2-(mercaptomethyl)-2-methyl-1-oxo-3-phenylpropyl]amino]-3-(phenylmethylthio)propanoic acid IUPAC Name: 2-[(2-benzyl-2-methyl-3-sulfanylpropanoyl)amino]-3-benzylsulfanylpropanoic acid Traditional Name: 2-[(2-benzyl-3-mercapto-2-methyl-propanoyl)amino]-3-(benzylthio)propionic acid Formula: C21H25NO3S2 MolecularWeight: 403.5581

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)(CS)C(=O)NC(CSCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(CC1=CC=CC=C1)(CS)C(=O)NC(CSCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H25NO3S2/c1-21(15-26,12-16-8-4-2-5-9-16)20(25)22-18(19(23)24)14-27-13-17-10-6-3-7-11-17/h2-11,18,26H,12-15H2,1H3,(H,22,25)(H,23,24)