methyl (2S)-2-[[4-phenyl-2-(phenylmethyl)-4-sulfanyl-butanoyl]amino]propanoate

Systemtic Name: methyl (2S)-2-[[4-phenyl-2-(phenylmethyl)-4-sulfanyl-butanoyl]amino]propanoate Openeye Name: methyl (2S)-2-[(2-benzyl-4-phenyl-4-sulfanyl-butanoyl)amino]propanoate CAS Name: (2S)-2-[[4-mercapto-1-oxo-4-phenyl-2-(phenylmethyl)butyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-benzyl-4-phenyl-4-sulfanylbutanoyl)amino]propanoate Traditional Name: (2S)-2-[(2-benzyl-4-mercapto-4-phenyl-butanoyl)amino]propionic acid methyl ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)C(CC1=CC=CC=C1)CC(C2=CC=CC=C2)S

Isomeric SMILES

C[C@@H](C(=O)OC)NC(=O)C(CC1=CC=CC=C1)CC(C2=CC=CC=C2)S

InChI

InChI=1S/C21H25NO3S/c1-15(21(24)25-2)22-20(23)18(13-16-9-5-3-6-10-16)14-19(26)17-11-7-4-8-12-17/h3-12,15,18-19,26H,13-14H2,1-2H3,(H,22,23)/t15-,18?,19?/m0/s1