phenyl 2-(phenylmethyl)-3-[[2-sulfanyl-2-(sulfanylmethyl)pentanoyl]amino]propanoate

Systemtic Name: phenyl 2-(phenylmethyl)-3-[[2-sulfanyl-2-(sulfanylmethyl)pentanoyl]amino]propanoate Openeye Name: phenyl 2-benzyl-3-[[2-sulfanyl-2-(sulfanylmethyl)pentanoyl]amino]propanoate CAS Name: 2-[[[2-mercapto-2-(mercaptomethyl)-1-oxopentyl]amino]methyl]-3-phenylpropanoic acid phenyl ester IUPAC Name: phenyl 2-benzyl-3-[[2-sulfanyl-2-(sulfanylmethyl)pentanoyl]amino]propanoate Traditional Name: 2-benzyl-3-[[2-mercapto-2-(mercaptomethyl)pentanoyl]amino]propionic acid phenyl ester Formula: C22H27NO3S2 MolecularWeight: 417.58468

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CS)(C(=O)NCC(CC1=CC=CC=C1)C(=O)OC2=CC=CC=C2)S

Isomeric SMILES

CCCC(CS)(C(=O)NCC(CC1=CC=CC=C1)C(=O)OC2=CC=CC=C2)S

InChI

InChI=1S/C22H27NO3S2/c1-2-13-22(28,16-27)21(25)23-15-18(14-17-9-5-3-6-10-17)20(24)26-19-11-7-4-8-12-19/h3-12,18,27-28H,2,13-16H2,1H3,(H,23,25)