(phenylmethyl) 4-phenyl-3-[[2-sulfanyl-2-(sulfanylmethyl)pentanoyl]amino]butanoate

Systemtic Name: (phenylmethyl) 4-phenyl-3-[[2-sulfanyl-2-(sulfanylmethyl)pentanoyl]amino]butanoate Openeye Name: benzyl 4-phenyl-3-[[2-sulfanyl-2-(sulfanylmethyl)pentanoyl]amino]butanoate CAS Name: 3-[[2-mercapto-2-(mercaptomethyl)-1-oxopentyl]amino]-4-phenylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-phenyl-3-[[2-sulfanyl-2-(sulfanylmethyl)pentanoyl]amino]butanoate Traditional Name: 3-[[2-mercapto-2-(mercaptomethyl)pentanoyl]amino]-4-phenyl-butyric acid benzyl ester Formula: C23H29NO3S2 MolecularWeight: 431.61126

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CS)(C(=O)NC(CC1=CC=CC=C1)CC(=O)OCC2=CC=CC=C2)S

Isomeric SMILES

CCCC(CS)(C(=O)NC(CC1=CC=CC=C1)CC(=O)OCC2=CC=CC=C2)S

InChI

InChI=1S/C23H29NO3S2/c1-2-13-23(29,17-28)22(26)24-20(14-18-9-5-3-6-10-18)15-21(25)27-16-19-11-7-4-8-12-19/h3-12,20,28-29H,2,13-17H2,1H3,(H,24,26)