(phenylmethyl) (2S)-3-[(2S)-2-[[(2S)-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]-5-phenyl-2H-1,3,4-thiadiazole-2-carboxylate

Systemtic Name: (phenylmethyl) (2S)-3-[(2S)-2-[[(2S)-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]-5-phenyl-2H-1,3,4-thiadiazole-2-carboxylate Openeye Name: benzyl (2S)-3-[(2S)-2-[[(1S)-1-ethoxycarbonyl-3-phenyl-propyl]amino]propanoyl]-5-phenyl-2H-1,3,4-thiadiazole-2-carboxylate CAS Name: (2S)-3-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-1-oxopropyl]-5-phenyl-2H-1,3,4-thiadiazole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-5-phenyl-2H-1,3,4-thiadiazole-2-carboxylate Traditional Name: (2S)-3-[(2S)-2-[[(1S)-1-carbethoxy-3-phenyl-propyl]amino]propanoyl]-5-phenyl-2H-1,3,4-thiadiazole-2-carboxylic acid benzyl ester Formula: C31H33N3O5S MolecularWeight: 559.67582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C(SC(=N2)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2[C@@H](SC(=N2)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C31H33N3O5S/c1-3-38-30(36)26(20-19-23-13-7-4-8-14-23)32-22(2)28(35)34-29(31(37)39-21-24-15-9-5-10-16-24)40-27(33-34)25-17-11-6-12-18-25/h4-18,22,26,29,32H,3,19-21H2,1-2H3/t22-,26-,29-/m0/s1