(3-acetamido-4-phenyl-butyl) (3S)-4-phenyl-3-(1,3-thiazol-5-ylmethoxycarbonylamino)butanoate

Systemtic Name: (3-acetamido-4-phenyl-butyl) (3S)-4-phenyl-3-(1,3-thiazol-5-ylmethoxycarbonylamino)butanoate Openeye Name: (3-acetamido-4-phenyl-butyl) (3S)-4-phenyl-3-(thiazol-5-ylmethoxycarbonylamino)butanoate CAS Name: (3S)-3-[[oxo(5-thiazolylmethoxy)methyl]amino]-4-phenylbutanoic acid (3-acetamido-4-phenylbutyl) ester IUPAC Name: (3-acetamido-4-phenylbutyl) (3S)-4-phenyl-3-(1,3-thiazol-5-ylmethoxycarbonylamino)butanoate Traditional Name: (3S)-4-phenyl-3-(thiazol-5-ylmethoxycarbonylamino)butyric acid (3-acetamido-4-phenyl-butyl) ester Formula: C27H31N3O5S MolecularWeight: 509.61714

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCOC(=O)CC(CC1=CC=CC=C1)NC(=O)OCC2=CN=CS2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC(CCOC(=O)C[C@H](CC1=CC=CC=C1)NC(=O)OCC2=CN=CS2)CC3=CC=CC=C3

InChI

InChI=1S/C27H31N3O5S/c1-20(31)29-23(14-21-8-4-2-5-9-21)12-13-34-26(32)16-24(15-22-10-6-3-7-11-22)30-27(33)35-18-25-17-28-19-36-25/h2-11,17,19,23-24H,12-16,18H2,1H3,(H,29,31)(H,30,33)/t23?,24-/m0/s1