tert-butyl (3S)-4-[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-(phenylmethoxycarbonylamino)-4-sulfanylidene-butanoate

Systemtic Name: tert-butyl (3S)-4-[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-(phenylmethoxycarbonylamino)-4-sulfanylidene-butanoate Openeye Name: tert-butyl (3S)-4-[[(1S)-1-benzyl-2-methoxy-2-oxo-ethyl]amino]-3-(benzyloxycarbonylamino)-4-thioxo-butanoate CAS Name: (3S)-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-3-(phenylmethoxycarbonylamino)-4-sulfanylidenebutanoic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-3-(phenylmethoxycarbonylamino)-4-sulfanylidenebutanoate Traditional Name: (3S)-4-[[(1S)-1-benzyl-2-keto-2-methoxy-ethyl]amino]-3-(benzyloxycarbonylamino)-4-thioxo-butyric acid tert-butyl ester Formula: C26H32N2O6S MolecularWeight: 500.60708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)OC(=O)C[C@@H](C(=S)N[C@@H](CC1=CC=CC=C1)C(=O)OC)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C26H32N2O6S/c1-26(2,3)34-22(29)16-20(28-25(31)33-17-19-13-9-6-10-14-19)23(35)27-21(24(30)32-4)15-18-11-7-5-8-12-18/h5-14,20-21H,15-17H2,1-4H3,(H,27,35)(H,28,31)/t20-,21-/m0/s1