(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl-[(4-methoxy-5-methylsulfinyl-2-oxidanyl-phenyl)methyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[9H-fluoren-9-ylmethoxycarbonyl-[(4-methoxy-5-methylsulfinyl-2-oxidanyl-phenyl)methyl]amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[9H-fluoren-9-ylmethoxycarbonyl-[(2-hydroxy-4-methoxy-5-methylsulfinyl-phenyl)methyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]-[(2-hydroxy-4-methoxy-5-methylsulfinylphenyl)methyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[9H-fluoren-9-ylmethoxycarbonyl-[(2-hydroxy-4-methoxy-5-methylsulfinylphenyl)methyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[9H-fluoren-9-ylmethoxycarbonyl-(2-hydroxy-4-methoxy-5-methylsulfinyl-benzyl)amino]-3-phenyl-propionic acid Formula: C33H31NO7S MolecularWeight: 585.66674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)O)CN(C(CC2=CC=CC=C2)C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)S(=O)C

Isomeric SMILES

COC1=C(C=C(C(=C1)O)CN([C@@H](CC2=CC=CC=C2)C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)S(=O)C

InChI

InChI=1S/C33H31NO7S/c1-40-30-18-29(35)22(17-31(30)42(2)39)19-34(28(32(36)37)16-21-10-4-3-5-11-21)33(38)41-20-27-25-14-8-6-12-23(25)24-13-7-9-15-26(24)27/h3-15,17-18,27-28,35H,16,19-20H2,1-2H3,(H,36,37)/t28-,42?/m0/s1