(2S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]propanoic acid

Systemtic Name: (2S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]propanoic acid Openeye Name: (2S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[isobutyl(p-tolylsulfonyl)amino]propanoic acid CAS Name: (2S)-3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]propanoic acid IUPAC Name: (2S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]propanoic acid Traditional Name: (2S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[isobutyl(tosyl)amino]propionic acid Formula: C29H32N2O6S MolecularWeight: 536.63918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)C(CNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)[C@@H](CNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O

InChI

InChI=1S/C29H32N2O6S/c1-19(2)17-31(38(35,36)21-14-12-20(3)13-15-21)27(28(32)33)16-30-29(34)37-18-26-24-10-6-4-8-22(24)23-9-5-7-11-25(23)26/h4-15,19,26-27H,16-18H2,1-3H3,(H,30,34)(H,32,33)/t27-/m0/s1