methyl 2-[2-[(3,3,3-triphenyl-2-sulfanyl-propanoyl)amino]ethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-[(3,3,3-triphenyl-2-sulfanyl-propanoyl)amino]ethanoylamino]ethanoate Openeye Name: methyl 2-[[2-[(3,3,3-triphenyl-2-sulfanyl-propanoyl)amino]acetyl]amino]acetate CAS Name: 2-[[2-[(2-mercapto-1-oxo-3,3,3-triphenylpropyl)amino]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[(3,3,3-triphenyl-2-sulfanylpropanoyl)amino]acetyl]amino]acetate Traditional Name: 2-[[2-[(2-mercapto-3,3,3-triphenyl-propanoyl)amino]acetyl]amino]acetic acid methyl ester Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)CNC(=O)C(C(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)S

Isomeric SMILES

COC(=O)CNC(=O)CNC(=O)C(C(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)S

InChI

InChI=1S/C26H26N2O4S/c1-32-23(30)18-27-22(29)17-28-25(31)24(33)26(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,24,33H,17-18H2,1H3,(H,27,29)(H,28,31)