methyl 2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propyl]sulfanylbenzoate

Systemtic Name: methyl 2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propyl]sulfanylbenzoate Openeye Name: methyl 2-[(2S)-3-(4-benzyloxyphenyl)-2-(tert-butoxycarbonylamino)propyl]sulfanylbenzoate CAS Name: 2-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(4-phenylmethoxyphenyl)propyl]thio]benzoic acid methyl ester IUPAC Name: methyl 2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propyl]sulfanylbenzoate Traditional Name: 2-[[(2S)-3-(4-benzoxyphenyl)-2-(tert-butoxycarbonylamino)propyl]thio]benzoic acid methyl ester Formula: C29H33NO5S MolecularWeight: 507.64102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)CSC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)CSC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C29H33NO5S/c1-29(2,3)35-28(32)30-23(20-36-26-13-9-8-12-25(26)27(31)33-4)18-21-14-16-24(17-15-21)34-19-22-10-6-5-7-11-22/h5-17,23H,18-20H2,1-4H3,(H,30,32)/t23-/m0/s1